Multicomponent Liquids: From Effective Potentials to Crystallization from the Melt (2009)
A. Kerrache, A. Carré, J. Horbach, K. Binder, G. Münster, D. Wolf, ...
published in
Zykova-Timan, T., Rozas, R. E., Horbach, J., Binder, K.
Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni...
Hydrokinetic simulations of nanoscopic precursor films in rough channels (2009)
Chibbaro, S., Biferale, L., Binder, K., Dimitrov, D., Diotallevi, F., Milchev, A., ...
We report on simulations of capillary filling of high-wetting fluids in nano-channels with and without obstacles. We use atomistic (molecular dynamics) and hydrokinetic (lattice-Boltzmann) approaches...
Mognetti, B. M., Virnau, P., Yelash, L., Paul, W., Binder, K., Mueller, M., ...
The prediction of the equation of state and the phase behavior of simple fluids (noble gases, carbon dioxide, benzene, methane, short alkane chains) and their mixtures by Monte Carlo computer...
Chibbaro, S., Biferale, L., Diotallevi, F., Succi, S., Binder, K., Milchev, A., ...
We present hydrokinetic Lattice Boltzmann and Molecular Dynamics simulations of capillary filling of high-wetting fluids in nano-channels, which provide clear evidence of the formation of thin...
Vink, R. L. C., Binder, K., Loewen, H.
As a generic model for liquid-vapour type transitions in random porous media, the Asakura-Oosawa model for colloid-polymer mixtures is studied in a matrix of quenched spheres using extensive Monte...
Bucior, K., Yelash, L., Binder, K.
As a generic model system of an asymmetric binary fluid mixture, hexadecane dissolved in carbon dioxide is considered, using a coarse-grained bead-spring model for the short polymer, and a simple...
258 References and Notes (2008)
C. A. Angell, K. L. Ngai, G. B. Mckenna, P. F. Mcmillan, S. W. Martin, M. D. Ediger, ...
with its size determined by the dye used.
Kerrache, A., Carre, A., Horbach, J., Binder, K.
The molecular dynamics (MD) simulation technique is a powerful tool for the investigation of multicomponent liquids and solids. A realistic description of such systems relies on the quality of the...
Hawlitzky, M., Horbach, J., Ispas, S., Krack, M., Binder, K.
A molecular dynamics (MD) study of the static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modeled by the classical pair...
Dimitrov, D. I., Milchev, A., Binder, K.
When a very thin capillary is inserted into a liquid, the liquid is sucked into it: this imbibition process is controlled by a balance of capillary and drag forces, which are hard to quantify...
Conference Proceedings Vol.49 (2007)
Erio Tosatti, Furio Ercolessi, K. Binder, G. Ciccotti (eds
overheating and faceting on metal surfaces: theory and simulation.
THE EUROPEAN PHYSICAL JOURNAL B c○ EDP Sciences (2007)
Finite-size scaling above the upper critical dimension revisited: the case of the five-dimensional Ising model
www.elsevier.nl/locate/cpc Two Monte Carlo studies of critical behavior in ferromagnetic Ising models are described: the first one deals with the crossover from the Ising class to the mean field...
Do crossover functions depend on the shape of the interaction profile? (2007)
PACS. 05.70.Jk – Critical point phenomena. PACS. 64.60.Fr – Equilibrium properties near critical points, critical exponents. Abstract. – We examine the crossover from classical to non-classical...
Monte Carlo simulation of block copolymers (2007)
INTRODUCTION AND OVERVIEW Diblock copolymers A f B 1\Gammaf consist of two polymer chains of type A and type B, covalently joint at one chain end, with chain lengths NA , NB , and composition f = NA...
We analyze recently extended high-temperature series expansions for the \Edwards-Anderson" spin glass susceptibility of the p-state Potts glass model on d-dimensional hypercubic lattices for the...
How do Droplets on a Surface Depend on the System Size? (2007)
We investigate the thermodynamics of inhomogeneous polymer melts in the framework of a coarse grained o-lattice model. Properties of the liquid{ vapor interface and the packing of the melt in contact...
Depletion induced isotropic-isotropic phase separation in suspensions of rod-like colloids (2007)
Jungblut, S., Tuinier, R., Binder, K., Schilling, T.
When non-adsorbing polymers are added to an isotropic suspension of rod-like colloids, the colloids effectively attract each other via depletion forces. We performed Monte Carlo simulations to study...
Capillary rise in nanopores: Molecular dynamics evidence for the Lucas-Washburn equation (2007)
Dimitrov, D. I., Milchev, A, Binder, K
When a capillary is inserted into a liquid, the liquid will rapidly flow into it. This phenomenon, well studied and understood on the macroscale, is investigated by molecular dynamics simulations for...
Ivanov, V. A., An, E. A., Spirin, L. A., Stukan, M. R., Mueller, M., Paul, W., ...
The osmotic equation of state for the athermal bond fluctuation model on the simple cubic lattice is obtained from extensive Monte Carlo simulations. For short macromolecules (chain length N=20) we...
Pastorino, C., Kreer, T., Mueller, M., Binder, K.
In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric systems. Polymer...
Capillary Rise in Nanopores: Molecular Dynamics Evidence for the Lucas-Washburn Equation (2007)
Dimitrov, D. I., Milchev, A., Binder, K.
When a capillary is inserted into a liquid, the liquid will rapidly flow into it. This phenomenon, well studied and understood on the macroscale, is investigated by Molecular Dynamics simulations for...
Depletion induced isotropic-isotropic phase separation in suspensions of rod-like colloids (2007)
Jungblut, S., Tuinier, R., Binder, K., Schilling, T.
Copyright AIP. This version is available at http://dx.doi.org/10.1063/1.2815805
We develop a framework for the interpretation of single-molecule (SM) spectroscopy experiments of probe dynamics in a complex glass-forming system. Specifically, from molecular dynamics simulations...
Using single molecule spectroscopy, we show that the fluorescence lifetime trajectories of single probe molecules embedded in a glass-forming polymer melt exhibit strong fluctuations of a hopping...
Critical behavior of colloid-polymer mixtures in random porous media (2006)
Vink, R. L. C., Binder, K., Loewen, H.
We show that the critical behavior of a colloid-polymer mixture inside a random porous matrix of quenched hard spheres belongs to the universality class of the random-field Ising model. We also...
Cavallo, A., Müller, M., Wittmer, J. P., Johner, A., Binder, K.
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular...
De Virgiliis, A., Vink, R. L. C., Horbach, J., Binder, K.
Phase separation of colloid-polymer mixtures, described by the Asakura-Oosawa (AO) model, confined in a thin slit pore is studied by grand-canonical Monte Carlo simulation. While one wall is a hard...
Transport phenomena are studied for a binary (AB) alloy on a rigid square lattice with nearest-neighbor attraction between unlike particles, assuming a small concentration $c_v$ of vacancies $V$...
Polymer Brushes in Cylindrical Pores: Simulation versus Scaling Theory (2006)
Dimitrov, D. I., Milchev, A., Binder, K.
The structure of flexible polymers endgrafted in cylindrical pores of diameter D is studied as a function of chain length N and grafting density \sigma, assuming good solvent conditions. A...
Molecular Dynamics Results on the Pressure Tensor of Polymer Films (2006)
Varnik, F., Baschnagel, J., Binder, K.
Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular and parallel...
Critical behavior of a colloid-polymer mixture confined between walls (2006)
Vink, R. L. C., Binder, K., Horbach, J.
We investigate the influence of confinement on phase separation in colloid-polymer mixtures. To describe the particle interactions, the colloid-polymer model of Asakura and Oosawa [J. Chem. Phys. 22,...
Milchev, A., Mueller, M., Binder, K.
The phase behavior of a large but finite Ising ferromagnet in the presence of competing surface magnetic fields +/- H_s is studied by Monte Carlo simulations and by phenomenological theory....
Yelash, L., Mueller, M., Paul, W., Binder, K.
The recently developed Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) is investigated for a wide range of model parameters including the parameter m representing the chain length and...
Cavallo, A., Müller, M., Wittmer, J. P., Johner, A., Binder, K.
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular...
Cavallo, A., Müller, M., Wittmer, J. P., Johner, A., Binder, K.
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular...
Cavallo, A., Müller, M., Wittmer, J. P., Johner, A., Binder, K.
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular...
Capillary Waves in a Colloid-Polymer Interface (2004)
Vink, R. L. C., Horbach, J., Binder, K.
The structure and the statistical fluctuations of interfaces between coexisting phases in the Asakura-Oosawa (AO) model for a colloid--polymer mixture are analyzed by extensive Monte Carlo...
Yaneva, J., Milchev, A., Binder, K.
Using a coarse-grained bead-spring model of flexible polymer chains, the structure of a polymeric nanodroplet adsorbed on a chemically decorated flat wall is investigated by means of Molecular...
Schulz, B. J., Binder, K., M"uller, M.
Using extensive Monte Carlo simulations, we study the interface localization- delocalization transition of a thin Ising film with antisymmetric competing walls for a set of parameters where the...
Vink, R. L. C., Horbach, J., Binder, K.
The critical behavior of a model colloid-polymer mixture, the so-called AO model, is studied using computer simulations and finite size scaling techniques. Investigated are the interfacial tension,...
Virnau, P., Mueller, M., MacDowell, L. G., Binder, K.
A coarse-grained model for solutions of polymers in supercritical fluids is introduced and applied to the system of hexadecane and carbon dioxide as a representative example. Fitting parameters of...
The droplet evaporation/condensation transition in a finite volume (2003)
Virnau, P., MacDowell, L. G., Mueller, M., Binder, K.
A fluid in the NVT ensemble at T less than the critical temperature T_c and rho = N/V somewhat in excess of rho_coex (density of the saturated gas in the gas-liquid transition) is considered. For...
Reply to the Comment by M. Biskup, L. Chayes and R. Kotecky (2003)
In their comment to the paper ``Theory of the evaporation/condensation transition of equilibrium droplets in finite volumes'' [Physica A, 319, 99 (2003)], Biskup et al. claim that in finite systems...
Avoiding Boundary Effects in Wang-Landau Sampling (2003)
Schulz, B. J., Binder, K., Müller, M., Landau, D. P.
A simple modification of the ``Wang-Landau sampling'' algorithm removes the systematic error that occurs at the boundary of the range of energy over which the random walk takes place in the original...
Computer Simulations of Polymers close to Solid Interfaces : Some Selected Topics (2003)
Baschnagel, J., Meyer, H., Varnik, F., Metzger, S., Aichele, M., Müller, M., ...
Polymer nanodroplets adsorbed on nanocylinders: A Monte Carlo study (2002)
The structure and the shape of polymer droplets of nanoscopic size on ultrathin cylindrical fibers (with diameters in the range of nanometers) is investigated by Monte Carlo simulation of a...
Horbach, J., Winkler, A., Kob, W., Binder, K.
We present the results of large scale computer simulations in which we investigate the structural and dynamic properties of silicate melts with the compositions (Na_2O)2(SiO_2) and (Al_2O_3)2(SiO_2)....
Polymer nanodroplets adsorbed on nanocylinders: A Monte Carlo study (2002)
The structure and the shape of polymer droplets of nanoscopic size on ultrathin cylindrical fibers (with diameters in the range of nanometers) is investigated by Monte Carlo simulation of a...
Flat Histogram Method of Wang-Landau and N-fold Way (2001)
Schulz, B. J., Binder, K., Mueller, M.
We present a method for estimating the density of states of a classical statistical model. The algorithm successfully combines the Wang-Landau flat histogram method with the N-fold way in order to...
Reister, E., Mueller, M., Binder, K.
We investigate how the dynamics of a single chain influences the kinetics of early stage phase separation in a symmetric binary polymer mixture. We consider quenches from the disordered phase into...
Reduction of the Glass Transition Temperature in Polymer Films: A Molecular-Dynamics Study (2001)
Varnik, F., Baschnagel, J., Binder, K.
We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the...
Molecular Dynamics Simulation of Confined Glass forming Liquids (2001)
Varnik, F., Scheidler, P., Baschnagel, J., Kob, W., Binder, K.
Dukas, L, Bischoff, HA, Thalmann, B, Binder, K, Monsch, AU, Boos, G, ...
Geriatr Univ Clin, Basel, Switzerland. Brigham & Womens Hosp, Div Rheumatol Allergy & Immunol, Boston, Switzerland. Limburgs Univ Ctr, Biomed Res Inst, Diepenbeek, Belgium. Univ Limburg, Acad Hosp...
Dukas, L, Bischoff, HA, Thalmann, B, Binder, K, Monsch, AU, Boos, G, ...
Geriatr Univ Clin, Basel, Switzerland. Brigham & Womens Hosp, Div Rheumatol Allergy & Immunol, Boston, Switzerland. Limburgs Univ Ctr, Biomed Res Inst, Diepenbeek, Belgium. Univ Limburg, Acad Hosp...
Mischler, C., Baschnagel, J., Binder, K.
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in which the glass...
The Ising model as a playground for the study of wetting and interface behavior (2000)
Landau,D. P., Ferrenberg,Alan M., Binder,K.
Computer simulations have played an important role in the elucidation of wetting and interface unbinding phenomena. In particular, use of the Ising-lattice-gas model in a film geometry and subject to...
Molecular Dynamics Results on the Pressure Tensor of Polymer Films (2000)
Varnik, F., Baschnagel, J., Binder, K.
Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular and parallel...
Path integral Monte Carlo simulations of silicates (2000)
Rickwardt, Chr., Nielaba, P., Müser, M. H., Binder, K.
We investigate the thermal expansion of crystalline SiO$_2$ in the $\beta$-- cristobalite and the $\beta$-quartz structure with path integral Monte Carlo (PIMC) techniques. This simulation method...
Using extensive Monte Carlo simulations we study the phase diagram of a symmetric binary (AB) polymer blend confined into a thin film as a function of the film thickness D. The monomer-wall...
Kreer, T., Baschnagel, J., Mueller, M., Binder, K.
We present data of Monte Carlo simulations for monodisperse linear polymer chains in dense melts with degrees of polymerization between N=16 and N=512. The aim of this study is to investigate the...
Phase diagram of polymer blends in confined geometry (2000)
Mueller, M., Binder, K., Albano, E. V.
Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range...
Mueller, M., Albano, E. V., Binder, K.
We study the phase behavior of a symmetric binary polymer blend which is confined into a thin film. The film surfaces interact with the monomers via short range potentials. We calculate the phase...
MacDowell, L. González, Mueller, M., Vega, C., Binder, K.
We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Reference...
Finite size effects on the phase diagram of a binary mixture confined between competing walls (2000)
Mueller, M., Binder, K., Albano, E. V.
A symmetrical binary mixture AB that exhibits a critical temperature T_{cb} of phase separation into an A-rich and a B-rich phase in the bulk is considered in a geometry confined between two parallel...
Order and Disorder Phenomena at Surfaces of Binary Alloys (2000)
Haas, F. F., Schmid, F., Binder, K.
We present recent Monte Carlo results on surfaces of bcc-structured binary alloys which undergo an order-disorder phase transformation in the bulk. In particular, we discuss surface order and surface...
Surface induced disorder in body-centered cubic alloys (2000)
Haas, F. F., Schmid, F., Binder, K.
We present Monte Carlo simulations of surface induced disordering in a model of a binary alloy on a bcc lattice which undergoes a first order bulk transition from the ordered DO3 phase to the...
Elastic constants from microscopic strain fluctuations (2000)
Sengupta, Surajit, Nielaba, Peter, Rao, Madan, Binder, K.
Fluctuations of the instantaneous local Lagrangian strain εij(r,t), measured with respect to a static “reference” lattice, are used to obtain accurate estimates of the elastic constants of model...
Elastic moduli, dislocation core energy and melting of hard disks in two dimensions (2000)
Sengupta, S., Nielaba, P., Binder, K.
Elastic moduli and dislocation core energy of the triangular solid of hard disks of diameter $\sigma$ are obtained in the limit of vanishing dislocation- antidislocation pair density, from Monte...
Defect fugacity, Spinwave Stiffness and T_c of the 2-d Planar Rotor Model (2000)
Sengupta, S., Nielaba, P., Binder, K.
We obtain precise values for the fugacities of vortices in the 2-d planar rotor model from Monte Carlo simulations in the sector with {\em no} vortices. The bare spinwave stiffness is also calculated...
Molecular Dynamics Results on the Pressure Tensor of Polymer Films (2000)
Varnik, F., Baschnagel, J., Binder, K.
Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular and parallel...
Molecular Dynamics Results on the Pressure Tensor of Polymer Films (2000)
Varnik, F., Baschnagel, J., Binder, K.
Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular and parallel...
Monte Carlo Investigations of Phase Transitions: Status and Perspectives (2000)
Binder, K., Luijten, E., Müller, M., Wilding, N. B., Blöte, H. W. J.
Vollmayr-Lee, K., Kob, W., Binder, K., Zippelius, A.
We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four...
Elastic constants from microscopic strain fluctuations (1999)
Sengupta, Surajit, Nielaba, Peter, Rao, Madan, Binder, K.
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic...
Molecular-Dynamics Simulation of a Glassy Polymer Melt: Rouse Model and Cage Effect (1999)
Bennemann, C., Baschnagel, J., Paul, W., Binder, K.
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down...
M. Müller, K. Binder, E. V. Albano
. -- Within self--consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range...
Binder,K., Lebowitz,J. L., Phani,M. K., Kalos,M. H.
The authors describe the results of Monte Carlo computations of the coherent phase diagram (in the temperature-composition plane) of ordering binary alloys on a face-centered cubic lattice. Results...
Anisimov, M. A., Luijten, E., Agayan, V. A., Sengers, J. V., Binder, K.
Recent numerical studies of the susceptibility of the three-dimensional Ising model with various interaction ranges have been analyzed with a crossover model based on renormalization-group matching...
Binder, K., Mueller, M., Schmid, F., Werner, A.
We consider an interface between two demixed A and B phases, confined in a thin film between two antisymmetric walls, one of which prefers A and the other B. Above the wetting transition, the...
Intrinsic profiles and capillary waves at homopolymer interfaces: a Monte Carlo study (1998)
Werner, A., Schmid, F., Mueller, M., Binder, K.
A popular concept which describes the structure of polymer interfaces by ``intrinsic profiles'' centered around a two dimensional surface, the ``local interface position'', is tested by extensive...
Monte Carlo and Molecular Dynamics Simulation of the Glass Transition of Polymers (1998)
Binder, K., Baschnagel, J., Bennemann, C., Paul, W.
Two coarse-grained models for polymer chains in dense glass-forming polymer melts are studied by computer simulation: the bond-fluctuation model on a simple cubic lattice, where a bond-length...
We present a quantitative comparison between extensive Monte Carlo simulations and self-consistent field calculations on the phase diagram and wetting behavior of a symmetric, binary (AB) polymer...
Bennemann, C., Paul, W., Binder, K., Duenweg, B.
We present Molecular Dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of...
Martonak, R., Paul, W., Binder, K.
In this paper we present a Path Integral Monte Carlo (PIMC) simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and...
Interfaces in partly compatible polymer mixtures: A Monte Carlo simulation approach (1997)
Binder, K., Mueller, M., Schmid, F., Werner, A.
The structure of polymer coils near interfaces between coexisting phases of symmetrical polymer mixtures (AB) is discussed, as well as the structure of symmetric diblock copolymers of the same chain...
Diblock copolymers at a homopolymer-homopolymer-interface: a Monte Carlo simulation (1997)
Werner, A., Schmid, F., Binder, K., Mueller, M.
The properties of diluted symmetric A-B diblock copolymers at the interface between A and B homopolymer phases are studied by means of Monte Carlo (MC) simulations of the bond fluctuation model. We...
Inter-Chain Structure Factors of Flexible Polymers in Solutions: A Monte Carlo Investigation (1997)
Yamakov, V., Milchev, A., Binder, K.
Off-lattice Monte Carlo simulations of both the single chain structure factor h(q) and the inter-chain structure factor HD(q) of flexible polymers in solutions are presented over a wide range of both...
Inter-Chain Structure Factors of Flexible Polymers in Solutions: A Monte Carlo Investigation (1997)
Yamakov, V., Milchev, A., Binder, K.
Off-lattice Monte Carlo simulations of both the single chain structure factor h(q) and the inter-chain structure factor HD(q) of flexible polymers in solutions are presented over a wide range of both...
Inter-Chain Structure Factors of Flexible Polymers in Solutions: A Monte Carlo Investigation (1997)
Yamakov, V., Milchev, A., Binder, K.
Off-lattice Monte Carlo simulations of both the single chain structure factor h(q) and the inter-chain structure factor HD(q) of flexible polymers in solutions are presented over a wide range of both...
Entropy Theory and Glass Transition: A Test by Monte Carlo Simulation (1997)
J. Baschnagel, M. Wolfgardt, W. Paul, K. Binder
This article reviews the results of a test of
Finite-Size Scaling in the p-State Mean-Field Potts Glass (1997)
O. Dillmann, W. Janke, K. Binder
The p-state mean-field Potts glass with bimodal bond distribution (±J) is studied by Monte Carlo simulations, both for p = 3 and p = 6 states, for system sizes from N = 5 to N = 120 spins,...
Small-Angle Excess Scattering: Glassy Freezing or Local Orientational Ordering? (1996)
Weber, H., Paul, W., Kob, W., Binder, K.
We present Monte Carlo simulations of a dense polymer melt which shows glass-transition-like slowing-down upon cooling, as well as a build up of nematic order. At small wave vectors q this model...
Orthorhombic Phase of Crystalline Polyethylene: A Monte Carlo Study (1996)
Martonak, R., Paul, W., Binder, K.
In this paper we present a classical Monte Carlo simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond lengths and angles and...
Some Finite Size Effects in Simulations of Glass Dynamics (1996)
Horbach, J., Kob, W., Binder, K., Angell, C. A.
We present the results of a molecular dynamics computer simulation in which we investigate the dynamics of silica. By considering different system sizes, we show that in simulations of the dynamics...
Finite-size scaling for near-critical continuum fluids at constant pressure (1996)
We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the...
Chain length dependence of the polymer-solvent critical point parameters (1996)
Wilding, N. B., Mueller, M., Binder, K.
We report grand canonical Monte Carlo simulations of the critical point properties of homopolymers within the Bond Fluctuation model. By employing Configurational Bias Monte Carlo methods, chain...
Copolymer Melts in Disordered Media (1996)
Stepanow, S., Dobrynin, A., Vilgis, T., Binder, K.
We have considered a symmetric AB block copolymer melt in a gel matrix with preferential adsorption of A monomers on the gel. Near the point of the microphase separation transition such a system can...
Temperature Dependence of Single Chain Properties in a Binary Polymer Blend (1996)
The temperature dependence of the correlation length of composition fluctuations and single chain statics and dynamics is studied in a symmetric, binary polymer blend. Our Monte Carlo simulation...
Copolymer Melts in Disordered Media (1996)
Stepanow, S., Dobrynin, A., Vilgis, T., Binder, K.
We have considered a symmetric AB block copolymer melt in a gel matrix with preferential adsorption of A monomers on the gel. Near the point of the microphase separation transition such a system can...
Temperature Dependence of Single Chain Properties in a Binary Polymer Blend (1996)
The temperature dependence of the correlation length of composition fluctuations and single chain statics and dynamics is studied in a symmetric, binary polymer blend. Our Monte Carlo simulation...
Copolymer Melts in Disordered Media (1996)
Stepanow, S., Dobrynin, A., Vilgis, T., Binder, K.
We have considered a symmetric AB block copolymer melt in a gel matrix with preferential adsorption of A monomers on the gel. Near the point of the microphase separation transition such a system can...
Temperature Dependence of Single Chain Properties in a Binary Polymer Blend (1996)
The temperature dependence of the correlation length of composition fluctuations and single chain statics and dynamics is studied in a symmetric, binary polymer blend. Our Monte Carlo simulation...
Cooling rate dependence of the internal structure of a Lennard-Jones glass (1995)
Vollmayr, K., Kob, W., Binder, K.
Using molecular dynamics computer simulations we investigate the dependence of bulk properties of a Lennard-Jones glass on the cooling rate with which the glass was produced. By studying the clusters...
Wolfgardt, M., Baschnagel, J., Binder, K.
A polymer melt is simulated at finite temperature by the Monte-Carlo method. We use a coarse-grained model for the polymer system, the bond-fluctuation model. Static properties of the melt can be...
Wolfgardt, M., Baschnagel, J., Binder, K.
A polymer melt is simulated at finite temperature by the Monte-Carlo method. We use a coarse-grained model for the polymer system, the bond-fluctuation model. Static properties of the melt can be...
Wolfgardt, M., Baschnagel, J., Binder, K.
A polymer melt is simulated at finite temperature by the Monte-Carlo method. We use a coarse-grained model for the polymer system, the bond-fluctuation model. Static properties of the melt can be...
Effects of inhomogeneities of cross-links on a microphase separation of polymer mixtures (1994)
Stepanow, S., Schulz, M., Binder, K.
We generalize de Gennes' theory of the microphase separation of cross-linked polymer mixtures to take into account the spatial fluctuations of the elasticity constant c, preventing the mixture from...
Wittmer, J., Paul, W., Binder, K.
Using the bond fluctuation model for flexible polymer chains in a dense melt the intermediate coherent scattering function for chains containing N = 200 monomers is calculated and interpreted in...
Effects of inhomogeneities of cross-links on a microphase separation of polymer mixtures (1994)
Stepanow, S., Schulz, M., Binder, K.
We generalize de Gennes' theory of the microphase separation of cross-linked polymer mixtures to take into account the spatial fluctuations of the elasticity constant c, preventing the mixture from...
Wittmer, J., Paul, W., Binder, K.
Using the bond fluctuation model for flexible polymer chains in a dense melt the intermediate coherent scattering function for chains containing N = 200 monomers is calculated and interpreted in...
Effects of inhomogeneities of cross-links on a microphase separation of polymer mixtures (1994)
Stepanow, S., Schulz, M., Binder, K.
We generalize de Gennes' theory of the microphase separation of cross-linked polymer mixtures to take into account the spatial fluctuations of the elasticity constant c, preventing the mixture from...
Wittmer, J., Paul, W., Binder, K.
Using the bond fluctuation model for flexible polymer chains in a dense melt the intermediate coherent scattering function for chains containing N = 200 monomers is calculated and interpreted in...
Monte Carlo simulations of the bond fluctuation model of symmetrical polymer mixtures (chain lengths NA=NB=N) are analyzed near the critical temperature Tc(N) of their unmixing transition. Two...
Monte Carlo simulations of the bond fluctuation model of symmetrical polymer mixtures (chain lengths NA=NB=N) are analyzed near the critical temperature Tc(N) of their unmixing transition. Two...
Monte Carlo simulations of the bond fluctuation model of symmetrical polymer mixtures (chain lengths NA=NB=N) are analyzed near the critical temperature Tc(N) of their unmixing transition. Two...
Model calculations for wetting transitions in polymer mixtures (1985)
Partially compatible binary mixtures of linear flexible polymers are considered in the presence of a wall which preferentially adsorbs one component. Using a Flory-Huggins type mean field approach,...
Model calculations for wetting transitions in polymer mixtures (1985)
Partially compatible binary mixtures of linear flexible polymers are considered in the presence of a wall which preferentially adsorbs one component. Using a Flory-Huggins type mean field approach,...
Model calculations for wetting transitions in polymer mixtures (1985)
Partially compatible binary mixtures of linear flexible polymers are considered in the presence of a wall which preferentially adsorbs one component. Using a Flory-Huggins type mean field approach,...
IS LASER-INDUCED NUCLEATION DUE TO A BULK LONG-WAVELENGTH INSTABILITY ? (1980)
The speculative suggestion is made that laser-Induced Nucleation of single crystals from amorphous thin films is due to an instability of the system against certain long-wavelength fluctuations,...
NUCLEATION THEORY AND DYMAMICS OF FIRST-ORDER PHASE TRANSITIONS NEAR A CRITICAL POINT (1980)
A brief review of nucleation theory and its problems is given. Main emphasis is on nucleation close to the critical point of liquid-gas systems or liquid liquid mixtures, and the interpretation of...
IS LASER-INDUCED NUCLEATION DUE TO A BULK LONG-WAVELENGTH INSTABILITY ? (1980)
The speculative suggestion is made that laser-Induced Nucleation of single crystals from amorphous thin films is due to an instability of the system against certain long-wavelength fluctuations,...
NUCLEATION THEORY AND DYMAMICS OF FIRST-ORDER PHASE TRANSITIONS NEAR A CRITICAL POINT (1980)
A brief review of nucleation theory and its problems is given. Main emphasis is on nucleation close to the critical point of liquid-gas systems or liquid liquid mixtures, and the interpretation of...
IS LASER-INDUCED NUCLEATION DUE TO A BULK LONG-WAVELENGTH INSTABILITY ? (1980)
The speculative suggestion is made that laser-Induced Nucleation of single crystals from amorphous thin films is due to an instability of the system against certain long-wavelength fluctuations,...
NUCLEATION THEORY AND DYMAMICS OF FIRST-ORDER PHASE TRANSITIONS NEAR A CRITICAL POINT (1980)
A brief review of nucleation theory and its problems is given. Main emphasis is on nucleation close to the critical point of liquid-gas systems or liquid liquid mixtures, and the interpretation of...
RECENT PROGRESS IN NUMERICAL SIMULATION OF SPIN GLASSES (1978)
Monte Carlo (MC) calculations on various models are reviewed : Ising models with random nearest neighbour as well as random infinite range exchange, Heisenberg models with random nearest neighbour as...
RECENT PROGRESS IN NUMERICAL SIMULATION OF SPIN GLASSES (1978)
Monte Carlo (MC) calculations on various models are reviewed : Ising models with random nearest neighbour as well as random infinite range exchange, Heisenberg models with random nearest neighbour as...
RECENT PROGRESS IN NUMERICAL SIMULATION OF SPIN GLASSES (1978)
Monte Carlo (MC) calculations on various models are reviewed : Ising models with random nearest neighbour as well as random infinite range exchange, Heisenberg models with random nearest neighbour as...
THEORIES OF STATIC AND DYNAMIC CRITICAL PHENOMENA AT ORDER-DISORDER AND UNMIXING TRANSITIONS (1977)
Some recent concepts on phase transformations in solids are briefly reviewed. First simple microscopic lattice models are introduced, kinetic Ising models which describe either unmixing (if the order...
THEORIES OF STATIC AND DYNAMIC CRITICAL PHENOMENA AT ORDER-DISORDER AND UNMIXING TRANSITIONS (1977)
Some recent concepts on phase transformations in solids are briefly reviewed. First simple microscopic lattice models are introduced, kinetic Ising models which describe either unmixing (if the order...
THEORIES OF STATIC AND DYNAMIC CRITICAL PHENOMENA AT ORDER-DISORDER AND UNMIXING TRANSITIONS (1977)
Some recent concepts on phase transformations in solids are briefly reviewed. First simple microscopic lattice models are introduced, kinetic Ising models which describe either unmixing (if the order...