362 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- ETH ZurichCH19 papers
- Institute of Computational ModelingRU4 papers
- Donostia International Physics CenterES2 papers
- IkerbasqueES2 papers
- Indian Institute of Technology MadrasIN2 papers
- Ingenierie des Materiaux polymeresFR2 papers
- Institut des Hautes Études ScientifiquesFR2 papers
- National Research CouncilLK2 papers
- University of FribourgCH2 papers
- University of the Basque CountryES2 papers
- APC Composite (Sweden)SE1 paper
- BeDimensional (Italy)IT1 paper
27 papers
Routes to the density profile and structural inconsistency
S. M. Tschopp, H. Vahid, J. M. Brader
Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy function…
Predictive models for strain energy in condensed phase reactions
Baptiste Martin, Shukai Yao, Chunyu Li +3
Molecular modeling of thermally activated chemistry in condensed phases is essential to understand polymerization, depolymerization, and other processing steps of molecular materia…
Shear-driven memory effects in carbon black gels
Julien Bauland, Thomas Gibaud
In recent years, significant effort has been devoted to developing smart materials whose mechanical properties can adapt under physical stimuli. Particulate colloidal gels, which b…
Visualizing intercalation effects in 2D materials using AFM based techniques
Karmen Kapustić, Cosme G. Ayani, Borna Pielić +3
Intercalation of two dimensional materials, particularly transition metal dichalcogenides, is a noninvasive way to modify electronic, optical and structural properties of these mat…
Tunable hyperbolic Landau-level polaritons in charge-neutral graphene nanoribbon metasurfaces
Kateryna Domina, Tetiana Slipchenko, D. -H. -Minh Nguyen +4
Magnetized charge-neutral graphene supports collective hybrid electronic excitations - polaritons - which have quantum origin. In contrast to polaritons in doped graphene, which ar…
Nickel Doping Unlocks Ambient-condition Photostability in Individual Cesium Lead Bromide Perovskite Quantum Dots
Jehyeok Ryu, Victor Krivenkov, Adam Olejniczak +7
Developing efficient single-photon sources is fundamental to advancing photonic quantum technologies. In particular, achieving scalable, cost-effective, stable, high-rate, and high…
Anisotropic layer-by-layer carbon nanotubes/boron nitride/rubber composite and its application in electromagnetic shielding
Yanhu Zhan, Emanuele Lago, Chiara Santillo +7
Multifunctional polymer composites with anisotropic properties are attracting interests as they fulfil the growing demand of multitasking materials. In this work, anisotropic polym…
The Flux Limited Keller-Segel System; Properties and Derivation from Kinetic Equations
Benoît Perthame, Nicolas Vauchelet, Zhian Wang
The flux limited Keller-Segel (FLKS) system is a macroscopic model describing bacteria motion by chemotaxis which takes into account saturation of the velocity. The hyper-bolic for…
Biexponential decay and ultralong coherence of a single qubit
Jérôme Flakowski, Maksym Osmanov, David Taj +1
A quantum two-state system, weakly coupled to a heat bath, is traditionally studied in the Born-Markov regime under the secular approximation with completely positive linear master…
Dissipative electromagnetism from a nonequilibrium thermodynamics perspective
Asja Jelic, Markus Hütter, Hans Christian Öttinger
Dissipative effects in electromagnetism on macroscopic scales are examined by coarse graining the microscopic Maxwell equations with respect to time. We illustrate a procedure to d…
Thermodynamic Theory of Incompressible Hydrodynamics
Santosh Ansumali, Iliya V. Karlin, Hans Christian Öttinger
The grand potential for open systems describes thermodynamics of fluid flows at low Mach numbers. A new system of reduced equations for the grand potential and the fluid momentum i…
Analysis of the Phase Transitions in Alkyl- Mica by Density and Pressure Profiles
Hendrik Heinz, Wolfgang Paul, Ulrich W. Suter +1
In a previous work [H. Heinz, H. J. Castelijns, U. W. Suter, J. Am. Chem. Soc. 115, 9500 (2003)], we developed an accurate force field and simulated the phase transitions in C18-mi…
Entropic Lattice Boltzmann Simulation of the Flow Past Square Cylinder
Santosh Ansumali, Shyam Sunder Chikatamarla, Christos Emmanouil Frouzakis +1
Minimal Boltzmann kinetic models, such as lattice Boltzmann, are often used as an alternative to the discretization of the Navier-Stokes equations for hydrodynamic simulations. Rec…
Invariant grids for reaction kinetics
A. N. Gorban, I. V. Karlin, A. Yu. Zinovyev
In this paper, we review the construction of low-dimensional manifolds of reduced description for equations of chemical kinetics from the standpoint of the method of invariant mani…
Galilean-Invariant Lattice-Boltzmann Models with H-Theorem
Bruce M. Boghosian, Peter J. Love, Peter V. Coveney +3
We demonstrate that the requirement of galilean invariance determines the choice of H function for a wide class of entropic lattice Boltzmann models for the incompressible Navier-S…
The additive generalization of the Boltzmann entropy
Alexander N. Gorban, Iliya V. Karlin, Hans Christian Ottinger
There exists only one generalization of the classical Boltzmann-Gibbs-Shannon entropy functional to a one-parametric family of additive entropy functionals. We find analytical solu…
Hydrodynamics from Grad's equations: What can we learn from exact solutions?
Iliya V. Karlin, Alexander N. Gorban
A detailed treatment of the classical Chapman-Enskog derivation of hydrodynamics is given in the framework of Grad's moment equations. Grad's systems are considered as the minimal…
Kinetic boundary conditions in the lattice Boltzmann method
Santosh Ansumali, Iliya V. Karlin
Derivation of the lattice Boltzmann method from the continuous kinetic theory [X. He and L. S. Luo, {\it Phys. Rev. E} {\bf 55}, R6333 (1997); X. Shan and X. He, {\it Phys. Rev. Le…
Canonical Distribution Functions in Polymer Dynamics: II. Liquid--Crystalline Polymers
Patrick Ilg, Iliya V. Karlin, Martin Kröger +1
The quasi--equilibrium approximation is employed as a systematic tool for solving the problem of deriving constitutive equations from kinetic models of liquid--crystalline polymers…
Canonical Distribution Functions in Polymer Dynamics: I. Dilute Solutions of Flexible Polymers
Patrick Ilg, Iliya V. Karlin, Hans Christian Öttinger
The quasi--equilibrium or maximum entropy approximation is applied in order to derive constitutive equations from kinetic models of polymer dynamics. It is shown in general and ill…
Family of additive entropy functions out of thermodynamic limit
Alexander N. Gorban, Iliya V. Karlin
Starting with the additivity condition for Lyapunov functions of master equation, we derive a one-parametric family of entropy functions which may be appropriate for a description…
Minimal entropic kinetic models for simulating hydrodynamics
Santosh Ansumali, Iliya V. Karlin, Hans Christian Öttinger
We derive minimal discrete models of the Boltzmann equation consistent with equilibrium thermodynamics, and which recover correct hydrodynamics in arbitrary dimensions. A simple an…
Diffusing-wave spectroscopy of nonergodic media
F. Scheffold, S. E. Skipetrov, S. Romer +1
We introduce an elegant method which allows the application of diffusing-wave spectroscopy (DWS) to nonergodic, solid-like samples. The method is based on the idea that light trans…
Supersymmetry solution for finitely extensible dumbbell model
P. Ilg, I. V. Karlin, S. Succi
Exact relaxation times and eigenfunctions for a simple mechanical model of polymer dynamics are obtained using supersymmetry methods of quantum mechanics. The model includes the fi…