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TOWARDS NOVEL NANO-SCALE TECHNOLOGIES BASED ON PHORETIC FLOW EFFECTS

Deliverables

Report on non-linear phoresis at nanoscale

Report that describes modelling phoretic effects focusing on the nonlinear operating regimes for the scales relevant to the project

Appointment of research and admin staff

Document describing the procedure followed to appoint research and admin staff

Review paper on modelling of phoretic effects

Article that summarizes our understanding of phoretic effects to be submitted to a scientific journal

Report on modelling phoretic effects

Report that describes modelling phoretic effects for the scales relevant to the project

Report on role of specific binding in phoresis

Document describing the undestanding achieved in the interrelation between specific binding processes in the presence of applied thermodynamic gradients

LB code for phoretic flows

Report describing the functioning of a mesoscopic code adapted to simulate phoresis under general conditions

MD code for phoresis

Report describing the functioning of a code adapted to simulate phoresis under general conditions

DDFT code for phoresis

Report describing the functioning of a mesoscopic code adapted to simulate phoresis under general conditions

Measurements of phoretic properties of Abeta peptide

Report describing the experiments performed the results obtained and the understanding gained on the phoretic behavior of Abeta peptide suspensions

Project website and logo

Document describing th eprocedure followed to set up the project website and logo and the structure and functionality of the website

Data management plan

Document describing the agreed data management plan

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Publications

Nano-pump based on exothermic surface reactions.

Author(s): Shaltiel Eloul; Daan Frenkel
Published in: Soft Matter, 7, 2021, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.17863/cam.63816

Computational design of probes to detect bacterial genomes by multivalent binding

Author(s): T. Curk, C. A. Brackley, J. D. Farrell, Z. Xing, D. Joshi, S. Direito, U. Bren, S. Angioletti-Uberti, J. Dobnikar, E. Eiser, D. Frenkel, R. J. Allen
Published in: Proc. Nat. Ac. Sci. USA, 117, 2020, Page(s) 8719, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1918274117

Self-thermophoresis at the nanoscale using light induced solvation dynamics.

Author(s): Carles Calero; Edwin L. Sibert; Rossend Rey
Published in: Nanoscale, 2, 2020, ISSN 2040-3372
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0nr01169j

Ultrafast photomechanical transduction through thermophoretic implosion

Author(s): Nikita Kavokine, Shuangyang Zou, Ruibin Liu, Antoine Niguès, Bingsuo Zou, Lydéric Bocquet
Published in: Nature Communications, 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-13912-w

Osmosis, from molecular insights to large-scale applications

Author(s): Sophie Marbach, Lydéric Bocquet
Published in: Chemical Society Reviews, 48/11, 2019, Page(s) 3102-3144, ISSN 0306-0012
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8cs00420j

Self-Propulsion of Active Colloids via Ion Release: Theory and Experiments

Author(s): Marco De Corato, Xavier Arqué, Tania Patiño, Marino Arroyo, Samuel Sánchez, and Ignacio Pagonabarraga
Published in: Physical Review Letters, 2020, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.124.108001

Effect of the interaction strength and anisotropy on the diffusio-phoresis of spherical colloids

Author(s): Jiachen Wei; Jiachen Wei; Simón Ramírez-Hinestrosa; Jure Dobnikar; Jure Dobnikar; Daan Frenkel
Published in: Soft Matter, 8, 2019, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm02053e

Diffusiophoresis driven colloidal manipulation and shortcuts to adiabaticity

Author(s): Parvin Bayati, Emmanuel Trizac
Published in: New Journal of Physics, 23/6, 2021, Page(s) 063028, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/abf799

On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Author(s): Dominika Lesnicki, Chloe Y. Gao, David T. Limmer, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, 155/1, 2021, Page(s) 014507, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0052860

Self-Assembly of Microscopic Rods Due to Depletion Interaction

Author(s): Calero, C. and Pagonabarraga, I.,
Published in: Entropy, 22, 2020, Page(s) 1114, ISSN 1099-4300
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/e22101114

Static and Dynamic Self-Assembly of Pearl-Like-Chains of Magnetic Colloids Confined at Fluid Interfaces

Author(s): Fernando Martínez‐Pedrero; Andrés González‐Banciella; Alba Camino; Ana Mateos‐Maroto; Francisco Ortega; Ramón G. Rubio; Ignacio Pagonabarraga; Carles Calero
Published in: Small, 8, 2021, ISSN 1613-6829
Publisher: Wiley Publisher
DOI: 10.1002/smll.202101188

Height distribution and orientation of colloidal dumbbells near a wall.

Author(s): Ruben W. Verweij; Stefania Ketzetzi; Joost de Graaf; Daniela J. Kraft
Published in: PHYSICAL REVIEW E, 25, 2020, ISSN 1095-3787
Publisher: APS
DOI: 10.1103/physreve.102.062608

Regulating the aggregation of colloidal particles in an electro-osmotic micropump.

Author(s): Zhu Zhang; Joost de Graaf; Sanli Faez
Published in: Soft Matter, 18, 2020, ISSN 1744-6848
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0sm01084g

Spontaneous chiralization of polar active colloids

Author(s): De Corato, Marco; Pagonabarraga, Ignacio; Natale, Giovanniantonio
Published in: Physical Review E, 9, 2021, ISSN 2470-0045
Publisher: American Physical Association

Collective motion of run-and-tumble repulsive and attractive particles in one-dimensional systems

Author(s): C. Miguel Barriuso Gutiérrez, Christian Vanhille-Campos, Francisco Alarcón, Ignacio Pagonabarraga, Ricardo Brito, Chantal Valeriani
Published in: Soft Matter, 2021, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1sm01006a

Reduced variance analysis of molecular dynamics simulations by linear combination of estimators

Author(s): S. W. Coles, E. Mangaud, D. Frenkel, B. Rotenberg
Published in: The Journal of Chemical Physics, 154/19, 2021, Page(s) 191101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0053737

Collective Transport of Magnetic Microparticles at a Fluid Interface through Dynamic Self-Assembled Lattices

Author(s): Fernando Martinez-Pedrero; Francisco Ortega; Ramón G. Rubio; Carles Calero
Published in: Advanced functional materials, 8, 2020, ISSN 1616-301X
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/adfm.202002206

Effect of social distancing on super-spreadingdiseases: why pandemics modelling is morechallenging than molecular simulation

Author(s): Xipeng Wang, Jure Dobnikar, Daan Frenkel
Published in: Molecular Physics, 119, 2021, Page(s) e1936247, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2021.1936247

Diffusion-Based Height Analysis Reveals Robust Microswimmer-Wall Separation.

Author(s): Stefania Ketzetzi; Joost de Graaf; Daniela J. Kraft
Published in: Physical Review Letters, 24, 2020, ISSN 1095-3787
Publisher: APS
DOI: 10.1103/physrevlett.125.238001

Studying polymer diffusiophoresis with non-equilibrium molecular dynamics

Author(s): S. Ramírez-Hinestrosa, H. Yoshida, L. Bocquet, D. Frenkel
Published in: The Journal of Chemical Physics, 152/16, 2020, Page(s) 164901, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0007235

Tunability of Interactions Between the Core and Shell in Rattle-Type Particles Studied with Liquid-Cell Electron Microscopy

Author(s): Tom A. J. Welling; Kanako Watanabe; Albert Grau-Carbonell; Joost de Graaf; Daisuke Nagao; Arnout Imhof; Marijn A. van Huis; Alfons van Blaaderen
Published in: ACS Nano, 4, 2021, ISSN 2574-0970
Publisher: ASC
DOI: 10.26434/chemrxiv.14459826.v1

Structure and Chemistry of Graphene Oxide in Liquid Water from First Principles

Author(s): Mouhat, Félix; Coudert, François-Xavier; Bocquet, Marie-Laure
Published in: Nature Communications, 3, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-15381-y

Reactive Momentum Transfer Contributes to the Self-Propulsion of Janus Particles

Author(s): Shaltiel Eloul; Wilson C. K. Poon; Oded Farago; Oded Farago; Daan Frenkel
Published in: Physical Review Letters, 7, 2020, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.124.188001

Ionic Coulomb blockade as a fractional Wien effect

Author(s): Nikita Kavokine, Sophie Marbach, Alessandro Siria, Lydéric Bocquet
Published in: Nature Nanotechnology, 14/6, 2019, Page(s) 573-578, ISSN 1748-3387
Publisher: Nature Publishing Group
DOI: 10.1038/s41565-019-0425-y

Active control of transport through nanopores

Author(s): Cheng Lian; Wei Zhong
Published in: AIP Physics of Fluids, 14, 2021, ISSN 1070-6631
Publisher: American Institute of Physics
DOI: 10.1063/5.0053253

Blessing and Curse: How a Supercapacitor’s Large Capacitance Causes its Slow Charging

Author(s): Cheng Lian; Mathijs Janssen; Mathijs Janssen; Mathijs Janssen; Honglai Liu; René van Roij
Published in: Physical Review Letters, 9, 2020, ISSN 1095-3787
Publisher: APS
DOI: 10.1103/physrevlett.124.076001

Sampling mobility profiles of confined fluids with equilibrium molecular dynamics simulations

Author(s): Etienne Mangaud, Benjamin Rotenberg
Published in: The Journal of Chemical Physics, 153/4, 2020, Page(s) 044125, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0013952

Active microrheology in two-dimensional magnetic networks

Author(s): Hanqing Wang, Jure Dobnikar, Jürgen Horbach
Published in: soft matter, 15, 2019, Page(s) 4437, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sm00085b

Dynamic response of a compressible binary fluid mixture

Author(s): Julien Lombard; Ignacio Pagonabarraga; Ignacio Pagonabarraga; E. Corvera Poiré; E. Corvera Poiré
Published in: Physical Review Fluids, 3, 2020, ISSN 2469-990X
Publisher: American Physical Society
DOI: 10.1103/physrevfluids.5.064201

Dynamic density functional theory for the charging of electric double layer capacitors

Author(s): Ke Ma 1 , Mathijs Janssen 2 , Cheng Lian 3 , a), and Rene van Roij 4
Published in: The journal of Chemical Physics, 2022, ISSN 1089-7690
Publisher: AIP
DOI: 10.1063/5.0081827

Versatile electrification of two-dimensional nanomaterials in water.

Author(s): Grosjean, Benoît; Bocquet, Marie-Laure; Vuilleumier, Rodolphe
Published in: Nature Communications, 1, 2019, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-09708-7

Multiscale modeling of electrolytes in porous electrode: From equilibriumstructure to non-equilibrium transport

Author(s): Haolan Tao Cheng Lian Honglai Liu
Published in: ScienceDirect -Green Energy & Environment, 2020, ISSN 2468-0257
Publisher: Chinese Academy of Sciences Elsevier B.V.
DOI: 10.1016/j.gee.2020.06.020

Scalable integration of nano-, and microfluidics with hybrid two-photon lithography

Author(s): Vanderpoorten, Oliver; Peter, Quentin; Challa, Pavan; Keyser, Ulrich; Baumberg, Jeremy; Kaminski, Clemens; Knowles, Tuomas
Published in: Microsystems & Nanoengineering, 11, 2019, ISSN 2055-7434
Publisher: Nature Publishing Group
DOI: 10.1038/s41378-019-0080-3

Particle-Stabilized Janus Emulsions that Exhibit pH-Tunable Stability

Author(s): T. Li, A. Schofield, K. Chen, J. Thijssen, J. Dobnikar, P. Clegg
Published in: chemical communications, 55, 2019, Page(s) 5773, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8cc09842e

Amphibious Transport of Fluids and Solids by Soft Magnetic Carpets

Author(s): Ahmet F. Demirörs; Sümeyye Aykut; Sophia Ganzeboom; Yuki A. Meier; Robert Hardeman; Joost Graaf; Arnold J. T. M. Mathijssen; Erik Poloni; Julia A. Carpenter; Caner Ünlü; Daniel Zenhäusern
Published in: Advanced Science, Vol 8, Iss 21, Pp n/a-n/a (2021), 28, 2021, ISSN 2198-3844
Publisher: wiley
DOI: 10.1002/advs.202102510

Reentrant liquid condensate phase of proteins is stabilized by hydrophobic and non-ionic interactions

Author(s): Georg Krainer; Timothy J. Welsh; Jerelle A. Joseph; Jorge R. Espinosa; Sina Wittmann; Ella de Csilléry; Akshay Sridhar; Zenon Toprakcioglu; Giedre Gudiškytė; Magdalena A. Czekalska; William E. Arter; Peter St George-Hyslop; Anthony A. Hyman; Rosana Collepardo-Guevara; Simon Alberti; Tuomas P.J. Knowles
Published in: Nature communications, 12, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1101/2020.05.04.076299

Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulations

Author(s): Benjamin Rotenberg
Published in: The Journal of Chemical Physics, 153/15, 2020, Page(s) 150902, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0029113

Water under extreme confinement in graphene: Oscillatory dynamics, structure, and hydration pressure explained as a function of the confinement width

Author(s): Carles Calero; Giancarlo Franzese
Published in: Journal of Molecular Liquids, 3, 2020, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2020.114027

Osmosis, from molecular insights to large-scale applications

Author(s): Marbach and L. Bocquet
Published in: submitted to Chem. Soc. Rev, 2019, ISSN 0306-0012
Publisher: Royal Society of Chemistry

Enhancing electrocatalytic N2 reduction via tailoring the electric double layers

Author(s): Haolan Tao,Cheng Lian,Hao Jiang,Chunzhong Li,Honglai Liu,René van Roij
Published in: AICHE JOurnal, Volume 68, Issue 3, 2021, ISSN 1547-5905
Publisher: Wiley
DOI: 10.1002/aic.17549

Controlling Cargo Trafficking in Multicomponent Membranes

Author(s): T. Curk, P. Wirnsberger, J. Dobnikar, D. Frenkel
Published in: Nano Letters, 18, 2018, Page(s) 5350, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.8b00786

Mechanically activated ionic transport across single-digit carbon nanotubes

Author(s): Alice Marcotte, Timothée Mouterde, Antoine Niguès, Alessandro Siria, Lydéric Bocquet
Published in: Nature Materials, 19/10, 2020, Page(s) 1057-1061, ISSN 1476-1122
Publisher: Nature Publishing Group
DOI: 10.1038/s41563-020-0726-4

Dynamics and clogging of colloidal monolayers magnetically driven through a heterogeneous landscape.

Author(s): Sergio Granados Leyva; Ralph L. Stoop; Pietro Tierno; Ignacio Pagonabarraga; Ignacio Pagonabarraga
Published in: Soft Matter, 11, 2020, ISSN 1744-683X
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0sm00904k

Aggregation of discoidal particles due to depletion interaction

Author(s): Calero, C., Díaz-Morata, M. and Pagonabarraga, I.,
Published in: The Journal of Chemical Physics, 155, 2021, Page(s) 074904, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0052481

Morphology Evolution of a Particle-Stabilized Binary-Component System

Author(s): Tao Li, J. Klebes, Jure Dobnikar, Paul S. Clegg
Published in: Chem. Commun, 55, 2019, Page(s) 5575, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cc01519a

Microscopic insights into the ion transport in graphene-based membranes with different interlayer spacing distributions

Author(s): Haolan Taoa Sen Lin Cheng Lian Chunzhong Liad Honglai Liu
Published in: Science Direct Chemical Engineering Science, 2020, ISSN 0009-2509
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.ces.2019.115354

The Lennard-Jones potential: when (not) to use it

Author(s): Xipeng Wang, Simòn Ramirez-Hinestrosa, Jure Dobnikar, Daan Frenkel
Published in: Physical Chemistry Chemical Physics, 22, 2020, Page(s) 10624, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp05445f

Local and global force balance for diffusiophoretic transport

Author(s): S. Marbach, H. Yoshida, L. Bocquet
Published in: Journal of Fluid Mechanics, 892, 2020, ISSN 0022-1120
Publisher: Cambridge University Press
DOI: 10.1017/jfm.2020.137

Attoliter protein nanogels from droplet nanofluidics for intracellular delivery.

Author(s): Toprakcioglu, Zenon; Challa, Pavan Kumar; Morse, David B; Knowles, Tuomas
Published in: Science Advances, 11, 2020, ISSN 2375-2548
Publisher: Association Advancement Science
DOI: 10.17863/cam.45850

Spontaneous polarization and locomotion of an active particlewith surface-mobile enzymes

Author(s): Marco De Corato, Ignacio Pagonabarraga, Loai K. E. A. Abdelmohsen, Samuel Sánchez, and Marino Arroyo
Published in: PHYSICAL REVIEW FLUIDS, 2020, ISSN 2469-990X
Publisher: American Physical Society
DOI: 10.1103/physrevfluids.5.122001

Spontaneous Domain Formation in Spherically Confined Elastic Filaments.

Author(s): Curk, Tine; Farrell, James Daniel; Dobnikar, Jure; Podgornik, Rudolf
Published in: Physical Review Letters, 8, 2019, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.123.047801

Small Obstacle in a Large Polar Flock

Author(s): Joan Codina,Benoit Mahault, Hugues Chaté, Jure Dobnikar, gnacio Pagonabarraga, and Xia-qing Shi
Published in: arxiv repository, 2021
Publisher: Cornell University

Single particle zeta-potential measurements reveal the role of electrostatics in protein condensate stability

Author(s): Welsh, Timothy J.; Krainer, Georg; Espinosa, Jorge R.; Joseph, Jerelle A.; Sridhar, Akshay; Jahnel, Marcus; Arter, William E.; Saar, Kadi L.; Alberti, Simon; Collepardo-Guevara, Rosana; Knowles, Tuomas P.J.
Published in: biorxiv, 8, 2021
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2020.04.20.047910

Activity-induced microswimmer interactions and cooperation in one-dimensional environments

Author(s): Ketzetzi, Stefania; Rinaldin, Melissa; Dröge, Pim; de Graaf, Joost; Kraft, Daniela J.
Published in: arxiv repository, 8, 2021
Publisher: Cornell University