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Dumbbell Model for Dilute and Semi-Dilute Solutions
Dumbbell models are very crude representations of polymer molecules. Too crude to be of much interest to a polymer chemist, since it in no way... -
Equilibrium Statistics: Monte Carlo Methods
Monte Carlo methods use random numbers, or ‘random’ sequences, to sample from a known shape of a distribution, or to extract distribution by other... -
Computer Simulations of the Electric Double Layer
We describe the Lekner–Sperb summation technique used to calculate the Coulomb interaction in 2D periodic systems, and discuss in detail the methods... -
Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical
A theoretically sound and computationally tractable treatment for non-Hamiltonian molecular dynamics is needed for simulations of complex systems.... -
Reverse Non-equilibrium Molecular Dynamics
We review non-equilibrium methods for calculating transport coefficients with emphasis on the reverse non-equilibrium molecular dynamics (RNEMD)... -
On the Reduction of Molecular Degrees of Freedom in Computer Simulations
Molecular simulations, based on atomistic force fields are a standard theoretical tool in materials, polymers and biosciences. While various methods,... -
Lattice Boltzmann Modeling of Complex Fluids: Colloidal Suspensions and Fluid Mixtures
The study of complex fluid dynamics requires development of numerical tools that capture the essentials of the dynamic coupling among the different... -
Mesoscopic Multi-particle Collision Model for Fluid Flow and Molecular Dynamics
Several aspects of modeling dynamics at the mesoscale level are discussed: (1) The construction of a mesoscopic description of fluid dynamics. The... -
Course 1: Nonequilibrium Phase Transitions
Nonequilibrium phase transitions are discussed with emphasis on general features such as the role of detailed balance violation in generating... -
Course 2: Mechanical Aging and Non-linear Rheology of Concentrated Colloidal Suspensions: Experimental Facts and Simple Models
Many colloidal systems display very non-Newtonian and solid-like behaviour when concentrated, a striking feature being the apparition of a yield... -
Course 6: Glasses, Replicas and All That
In these lectures I will review the approach to glasses based on the replica formalism. Many of the physical ideas are very similar to those of older... -
Course 14: Hiking through Glassy Phases: Physics beyond Aging
Experiments performed on a wide range of glassy materials display many interesting phenomena, such as aging behavior. In recent years, a large body... -
Nonequilibrium Dynamics of Anisotropic Fluids
In Chap. 9 we summarized methods for analyzing the equilibrium statistics of physical system, using Monte Carlo methods. While at equilibrium complex... -
Connection between Different Levels of Description
One of the major issues raised by the Boltzmann equation is the problem of the reduced description. Equations of hydrodynamics constitute a closet... -
Irreducible and Isotropic Cartesian Tensors
In this chapter we summarize definitions and properties of cartesian, anisotropic, irreducible and isotropic tensors and related tensor operators. In... -
Chain Model for Dilute Solutions
Various experimental observations reveal an important aspect of the behavior of polymer solutions which is not captured by FENE dumbbell models. When... -
Chain Models for Transient and Semiflexible Structures
In order to be prepared for the analysis of the flexible FENE-C (FENE model which allows for scission/recombination), FENE-B (which allows for... -
Simulating the Dynamics of Mesoscopic Systems
We consider how to simulate quantitatively the dynamics of mesoscopic systems on macroscopic time-scales. In this respect we consider two relatively... -
Hybrid Models: Bridging Particle and Continuum Scales in Hydrodynamic Flow Simulations
Different models for the coupling of field and particle descriptions are introduced and examined. For the purpose of establishing how a molecular...