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  • 1
    Monograph available for loan
    Monograph available for loan
    Cambridge [u.a.] : Cambridge Univ. Press
    Call number: M 04.0415
    Description / Table of Contents: Contents: Preface; 1. Introduction; 2. Some necessary background; 3. Simple sampling Monte Carlo methods; 4. The metropolis Monte Carlo algorithm for lattice models; 5. More on importance sampling Monte Carlo methods for lattice systems; 6. Off-lattice models; 7. Reweighting methods; 8. Quantum Monte Carlo methods; 9. Monte Carlo renormalization group methods; 10. Non-equilibrium and irreversible processes; 11. Lattice gauge models: a brief introduction; 12. A brief review of other methods of computer simulation; 13. Outlook.
    Type of Medium: Monograph available for loan
    Pages: XIII, 384 S. , Ill., graph. Darst
    ISBN: 0521653665
    Classification:
    Physics
    Location: Upper compact magazine
    Branch Library: GFZ Library
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 86 (1992), S. 263-271 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We study the effects of surfaces on the kinetics of phase changes in Ising-type systems. If the surface effects can be modelled by a field which couples linearly to the local order parameter, the growth of wetting or drying layers occurs. The numerical solution of the corresponding time-dependent Ginzburg-Landau equation yields a temporally logarithmic growth for the thickness of a wetting (drying) layer growing from an unstable dry (wet) state. On the other hand, if one starts off with a metastable state, the radius of a supercritical plug (wet or dry) grows linearly in time, in accordance with recent experimental results.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1434-6036
    Keywords: 05.50.+9 ; 02.70.L9
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A qualitative model for solid mixtures of diatomic molecules, where one species (called CO, to be specific) carries both a dipole moment and a quadrupole moment, while the other species (calledN 2) has only a quadrupole moment, is studied by Monte Carlo methods. We use spinsS i =±1 to represent the orientations of the CO electric dipole moment, if the lattice sitei is taken by a CO molecule, whileS i =0 if the site is taken by anN 2 molecule. Assuming nearest-neighbor antiferroelectric interactions between CO molecules, and a bilinear dipole-quadrupole coupling between CO andN 2, the randomly quenchedN 2 molecules act like random fields do in the random field Ising model. In previous work it was already shown that this crude model is in very good agreement with experimental data in two dimensions (adsorbed layers), where the random fields induces a rounding of the transition. Here Monte Carlo simulations of the three-dimensional version of this model are presented and analyzed with finite size scaling concepts. As expected from the theory, a behaviour qualitatively different from the two-dimensional case is detected. The Monte Carlo data provide qualitative evidence that the random field induces crossover to an universality class with critical exponents distinct from the pure Ising model, but it is not feasible to us to study large enough systems that would allow a reliable estimation of these exponents. But the results show that dilution without dipole-quadrupole coupling has much less drastic effects on the critical behavior, and that in the presence of this coupling very small impurity concentrations do indeed change the critical behavior.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1572-9613
    Keywords: Percolation ; “physical clusters” ; Ising model ; Monte Carlo simulation ; finite-size scaling ; Fortuin-Kasteleyn representation ; Swendsen-Wang algorithm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Finite squareL×L Ising lattices with ferromagnetic nearest neighbor interaction are simulated using the Swendsen-Wang cluster algorithm. Both thermal properties (internal energyU, specific heatC, magnetization 〈|M|〉, susceptibilityχ) and percolation cluster properties relating to the “physical clusters,” namely the Fortuin-Kasteleyn clusters (percolation probability 〈P ∞〉, percolation susceptibilityχ p, cluster size distributionn l) are evaluated, paying particular attention to finite-size effects. It is shown that thermal properties can be expressed entirely in terms of cluster properties, 〈P ∞〉 being identical to 〈|M|〉 in the thermodynamic limit, while finite-size corrections differ. In contrast,χ p differs fromχ even in the thermodynamic limit, since a fluctuation in the size of the percolating net contributes toχ, but not toχ p. NearT c the cluster size distribution has the scaling properties as hypothesized by earlier phenomenological theories. We also present a generalization of the Swendsen-Wang algorithm allowing one to cross over continuously to the Glauber dynamics.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer-aided materials design 2 (1996), S. 167-181 
    ISSN: 1573-4900
    Keywords: Polymer adsorption ; Monte Carlo methods ; Bead spring model ; Theta solvent ; Diffusion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary Using a bead spring model of flexible polymer chains, the density profiles and chain configurational properties of polymer solutions confined between parallel plates were studied. A wide range of density ϕ, chain length N, and strength ε of a short-range attractive wall potential was investigated. Both a temperature T in the good solvent regime (T 〉 θ, θ being the Theta temperature where a chain in unconfined bulk three-dimensional solution would behave ideally) and a temperature in the bad solvent regime (T 〈 θ) were considered. It is shown that phase separation in a polymer-rich and polymer-poor solution in the slit competes with polymer adsorption at the walls. A qualitative connection to the wetting behavior of semi-infinite polymer solutions is drawn. The acceptance rate for monomer motions was studied for various conditions, and profiles of monomer mobility across the slit were recorded. Also, average chain relaxation times were extracted from the time dependence of mean-square displacements. Although with increasing density the chain radii (at T 〉 θ) show a crossover from two-dimensional excluded volume behavior (Rg ∝ N2ν with ν = 3/4) to ideal random walk behavior (ν = 1/2), the relaxation times show effective exponents Zeff (τ ∝ NZ eff) that clearly deviate from the Rouse prediction in concentrated confined solutions.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 82 (1991), S. 405-418 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The initial stages of phase separation are studied for a model binary alloy (AB) with pairwise interactions ε AA , ε AB , ε BB between nearest neighbors, assuming that there is no direct interchange of neighboring atoms possible, but only an indirect one mediated by vacancies (V) occurring in the system at a concentrationc v and which are strictly conserved, as are the concentrationsc A andc B of the two species.A-atoms may jump to vacant sites with jump rateГ A , B-atoms with jump rateГ B (in the absence of interactions). Particular attention is paid to the question to what extent nonuniform distribution of vacancies affects the unmixing kinetics. Our study focuses on the special caseГ A =Г B on a square lattice, considering three different choices of interactions with the same ε=ε AB − (ε AA +ε BB )/2: (i) ε AB =ε, ε AA = ε BB = 0; (ii) ε AA = 0, ε AA = ε BB ; = ∓ ε; (iii) ε AB = ε BB = 0, ε AA = −2ε. We obtain both the time evolution of the structure factorS(k,t) following a quench from infinite temperature to the considered temperature, and the timedependence of the mean cluster size and the various neighborhood probabilities of a vacancy. While in case (i) forc V ≦0.16 the distribution of vacancies in the system stays nearly random, in case (ii) the vacancies cluster in theA-B interfacial region, and in case (iii) they get nearly completely expelled from theA-rich regions. While phase separation proceeds in case (i) only slightly faster than in case (ii), a significant slowing down of the relaxation is observed for case (iii), which shows up in a strong reduction of the effective exponents describing the growth.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We consider the rounding and shifting of a firstorder transition in a finited-dimensional hypercubicL d geometry,L being the linear dimension of the system, and surface effects are avoided by periodic boundary conditions. We assume that upon lowering the temperature the system discontinuously goes to one ofq ordered states, such as it e.g. happens for the Potts model ind=3 forq≧3, with the correlation length ξ of order parameter fluctuation staying finite at the transition. We then describe each of theseq ordered phases and the disordered phase forL≫ξ by a properly weighted Gaussian. From this phenomenological ansatz for the total distribution of the order parameter, all moments of interest are calculated straight-forwardly. In particular, it is shown that forL exceeding a characteristic minimum sizeL min the forthorder cumulantg L (T) exhibits a minimum atT min〉T c, withT min−T c∝L −d and the value of the cumulant and the minimum (g(T min)) behaving asg(T min)∝L −d. All cumulantsg L (T) forL≫ξ approximately intersect at a common crossing pointT cross∝L −2d, with a universal valueg(T cross)=1−n/2q, wheren is the order parameter dimensionality. By searching for such a behavior in numerical simulation data, the first order character of a phase transition can be asserted. The usefulness of this approach is shown using data for theq=3,d=3 Potts ferromagnet.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 55 (1989), S. 87-126 
    ISSN: 1572-9613
    Keywords: Finite-size scaling ; anisotropic systems ; Lifshitz points ; driven Kawasaki model ; nonequilibrium phase transitions ; Monte Carlo simulations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Various thermal equilibrium and nonequilibrium phase transitions exist where the correlation lengths in different lattice directions diverge with different exponentsv ‖,v ⊥: uniaxial Lifshitz points, the Kawasaki spin exchange model driven by an electric field, etc. An extension of finite-size scaling concepts to such anisotropic situations is proposed, including a discussion of (generalized) rectangular geometries, with linear dimensionL ‖ in the special direction and linear dimensionsL ⊥ in all other directions. The related shape effects forL ‖≠L ⊥ but isotropic critical points are also discussed. Particular attention is paid to the case where the generalized hyperscaling relationv ‖+(d−1)v ⊥=γ+2β does not hold. As a test of these ideas, a Monte Carlo simulation study for shape effects at isotropic critical point in the two-dimensional Ising model is presented, considering subsystems of a 1024x1024 square lattice at criticality.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 56 (1989), S. 783-819 
    ISSN: 1572-9613
    Keywords: Driven Kawasaki models ; stochastic lattice gas ; non-equilibrium phase transitions ; computer simulations ; finite-size scaling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The field-driven Kawasaki model with a fractionp admixture of Glauber dynamics is studied by computer simulation:p=0 corresponds to the order-parameter-onserving driven diffusive system, whilep=1 is the equilibrium Ising model. Forp=0.1 our best estimates of critical exponents based on a system of size 4096×128 areβ≈0.22, ηRS≈0.45, andv ‖≈v ⊥≈1. These exponents differ from both the values predicted by a field-theoretic method forp=0 and those of the equilibrium Ising model. Anisotropic finite-size scaling analyses are carried out, both for subsystems of the large system and for fully periodic systems. The results of the latter, however, are inconsistent, probably due to the complexity of the size effects. This leaves open the possibility that we are in a crossover regime fromp=0 top≠0 and that our critical exponents are “effective ones.” Forp=0 our results are consistent with the predictionsv ‖〉v ⊥.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 77 (1994), S. 145-172 
    ISSN: 1572-9613
    Keywords: Spinodal decomposition ; surface enrichment ; wetting ; coarsening ; binary mixtures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The phase separation kinetics of a two-dimensional binary mixture at critical composition confined between (one-dimensional) straight walls which preferentially attract one component of the mixture is studied for a wide range of distancesD between the walls. Following earlier related work on semiinfinite systems, two choices of surface forces at the walls are considered, one corresponding to an incompletely wet state of the walls, the other to a completely wet state (forD→∞). The nonlinear Cahn-Hilliard-type equation, supplemented with appropriate boundary conditions which account for the presence of surfaces, is replaced by a discrete equivalent and integrated numerically. Starting from a random initial distribution of the two species (say,A andB), an oscillatory concentration profile rapidly forms across the film. This is characterized by two thin enrichment layers of the preferred component at the walls, followed by adjacent depletion layers. While in these layers phase separation is essentially complete, the further oscillations of the average composition at distanceZ from a wall get rapidly damped asZ increases toward the center of the film. This structure is relatively stable for an intermediate time scale, while the inhomogeneous structure in the center of the film coarsens. The concentration correlation function in directions parallel to the walls (integrated over allZ) and the associated structure factor (describing small-angle scattering from the film) exhibit a scaling behavior, similar to bulk spinodal decomposition, and the characteristic length scale grows with time asl ‖, wherea is close to the Lifshitz-Slyozov value 1/3, and the coefficients α, β depend on film thickness only weakly. Only when one considers the local correlation function at distances close to the walls are deviations from scaling observed due to the competing effects of the grwing surface enrichment layers. However, at very late times [whenl ‖ (t) becomes comparable toD] this bulklike description breaks down, and a concentration distribution is expected to be established which is a superposition of domains separated by interfaces perpendicular to the walls, the one type of domain being rich inA and nearly homogeneous, and the other poor inA except for two thin enrichment layers at the walls.
    Type of Medium: Electronic Resource
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