Pores in Bilayer Membranes of Amphiphilic Molecules: Coarse-Grained Molecular Dynamics Simulations Compared with Simple Mesoscopic Models

We investigate pores in fluid membranes by molecular dynamics simulations of an amphiphile-solvent mixture, using a molecular coarse-grained model. The amphiphilic membranes self-assemble into a lamellar stack of amphiphilic bilayers separated by solvent layers. We focus on the particular case of tension less membranes, in which pores spontaneously appear because of thermal fluctuations. Their spatial distribution is similar to that of a random set of repulsive hard discs. The size and shape distribution of individual pores can be described satisfactorily by a simple mesoscopic model, which accounts only for a pore independent core energy and a line tension penalty at the pore edges. In particular, the pores are not circular: their shapes are fractal and have the same characteristics as those of two dimensional ring polymers. Finally, we study the size-fluctuation dynamics of the pores, and compare the time evolution of their contour length to a random walk in a linear potential

Critical behavior of frustrated systems: Monte Carlo simulations versus Renormalization Group

We study the critical behavior of frustrated systems by means of Pade-Borel resummed three-loop renormalization-group expansions and numerical Monte Carlo simulations. Amazingly, for six-component spins where the transition is second order, both approaches disagree. This unusual situation is analyzed both from the point of view of the convergence of the resummed series and from the possible relevance of non perturbative effects.Comment: RevTex, 10 pages, 3 Postscript figure

The critical behavior of frustrated spin models with noncollinear order

We study the critical behavior of frustrated spin models with noncollinear order, including stacked triangular antiferromagnets and helimagnets. For this purpose we compute the field-theoretic expansions at fixed dimension to six loops and determine their large-order behavior. For the physically relevant cases of two and three components, we show the existence of a new stable fixed point that corresponds to the conjectured chiral universality class. This contradicts previous three-loop field-theoretical results but is in agreement with experiments.Comment: 4 pages, RevTe

Monte Carlo renormalization group study of the Heisenberg and XY antiferromagnet on the stacked triangular lattice and the chiral ϕ4\phi^4 model

With the help of the improved Monte Carlo renormalization-group scheme, we numerically investigate the renormalization group flow of the antiferromagnetic Heisenberg and XY spin model on the stacked triangular lattice (STA-model) and its effective Hamiltonian, 2N-component chiral $\phi^4$ model which is used in the field-theoretical studies. We find that the XY-STA model with the lattice size $126\times 144 \times 126$ exhibits clear first-order behavior. We also find that the renormalization-group flow of STA model is well reproduced by the chiral $\phi^4$ model, and that there are no chiral fixed point of renormalization-group flow for N=2 and 3 cases. This result indicates that the Heisenberg-STA model also undergoes first-order transition.Comment: v1:15 pages, 15 figures v2:updated references v3:added comments on the higher order irrelevant scaling variables v4:added results of larger sizes v5:final version to appear in J.Phys.Soc.Jpn Vol.72, No.

Testing for Features in the Primordial Power Spectrum

Well-known causality arguments show that events occurring during or at the end of inflation, associated with reheating or preheating, could contribute a blue component to the spectrum of primordial curvature perturbations, with the dependence k^3. We explore the possibility that they could be observably large in CMB, LSS, and Lyman-alpha data. We find that a k^3 component with a cutoff at some maximum k can modestly improve the fits (Delta chi^2=2.0, 5.4) of the low multipoles (l ~ 10 - 50) or the second peak (l ~ 540) of the CMB angular spectrum when the three-year WMAP data are used. Moreover, the results from WMAP are consistent with the CBI, ACBAR, 2dFGRS, and SDSS data when they are included in the analysis. Including the SDSS galaxy clustering power spectrum, we find weak positive evidence for the k^3 component at the level of Delta chi' = 2.4, with the caveat that the nonlinear evolution of the power spectrum may not be properly treated in the presence of the k^3 distortion. To investigate the high-k regime, we use the Lyman-alpha forest data (LUQAS, Croft et al., and SDSS Lyman-alpha); here we find evidence at the level Delta chi^2' = 3.8. Considering that there are two additional free parameters in the model, the above results do not give a strong evidence for features; however, they show that surprisingly large bumps are not ruled out. We give constraints on the ratio between the k^3 component and the nearly scale-invariant component, r_3 < 1.5, over the range of wave numbers 0.0023/Mpc < k < 8.2/Mpc. We also discuss theoretical models which could lead to the k^3 effect, including ordinary hybrid inflation and double D-term inflation models. We show that the well-motivated k^3 component is also a good representative of the generic spikelike feature in the primordial perturbation power spectrum.Comment: 23 pages, 6 figures; added new section on theoretical motivation for k^3 term, and discussion of double D-term hybrid inflation models; title changed, added a new section discussing the generic spikelike features, published in IJMP

Charge orderings in the atomic limit of the extended Hubbard model

The extended Hubbard model in the atomic limit (AL-EHM) on a square lattice with periodic boundary conditions is studied with use of the Monte Carlo (MC) method. Within the grand canonical ensemble the phase and order-order boundaries for charge orderings are obtained. The phase diagrams include three types of charge ordered phases and the nonordered phase. The system exhibits very rich structure and shows unusual multicritical behavior. In the limiting case of tij = 0, the EHM is equivalent to the pseudospin model with single-ion anisotropy 1/2U, exchange interaction W in an effective magnetic field (mu-1/2U-zW). This classical spin model is analyzed using the MC method for the canonical ensemble. The phase diagram is compared with the known results for the Blume-Capel model.Comment: 9 pages, 10 figure

Critical behavior of O(2)xO(N) symmetric models

We investigate the controversial issue of the existence of universality classes describing critical phenomena in three-dimensional statistical systems characterized by a matrix order parameter with symmetry O(2)xO(N) and symmetry-breaking pattern O(2)xO(N) -> O(2)xO(N-2). Physical realizations of these systems are, for example, frustrated spin models with noncollinear order. Starting from the field-theoretical Landau-Ginzburg-Wilson Hamiltonian, we consider the massless critical theory and the minimal-subtraction scheme without epsilon expansion. The three-dimensional analysis of the corresponding five-loop expansions shows the existence of a stable fixed point for N=2 and N=3, confirming recent field-theoretical results based on a six-loop expansion in the alternative zero-momentum renormalization scheme defined in the massive disordered phase. In addition, we report numerical Monte Carlo simulations of a class of three-dimensional O(2)xO(2)-symmetric lattice models. The results provide further support to the existence of the O(2)xO(2) universality class predicted by the field-theoretical analyses.Comment: 45 pages, 20 figs, some additions, Phys.Rev.B in pres

Flat Energy-Histogram Simulation of the Phase Transition in an Ising Fully Frustrated Lattice

We show in this paper the results on the phase transition of the so-called fully frustrated simple cubic lattice with the Ising spin model. We use here the Monte Carlo method with the flat energy-histogram Wang-Landau technique which is very powerful to detect weak first-order phase transition. We show that the phase transition is clearly of first order, providing a definite answer to a question raised 25 years ago.Comment: Submitted for publicatio

Critical thermodynamics of three-dimensional chiral model for N > 3

The critical behavior of the three-dimensional $N$-vector chiral model is studied for arbitrary $N$. The known six-loop renormalization-group (RG) expansions are resummed using the Borel transformation combined with the conformal mapping and Pad\'e approximant techniques. Analyzing the fixed point location and the structure of RG flows, it is found that two marginal values of $N$ exist which separate domains of continuous chiral phase transitions $N > N_{c1}$ and $N N > N_{c2}$ where such transitions are first-order. Our calculations yield $N_{c1} = 6.4(4)$ and $N_{c2} = 5.7(3)$. For $N > N_{c1}$ the structure of RG flows is identical to that given by the $\epsilon$ and 1/N expansions with the chiral fixed point being a stable node. For $N < N_{c2}$ the chiral fixed point turns out to be a focus having no generic relation to the stable fixed point seen at small $\epsilon$ and large $N$. In this domain, containing the physical values $N = 2$ and $N = 3$, phase trajectories approach the fixed point in a spiral-like manner giving rise to unusual crossover regimes which may imitate varying (scattered) critical exponents seen in numerous physical and computer experiments.Comment: 12 pages, 3 figure

Landau Expansion for the Kugel-Khomskii t2gt_{2g} Hamiltonian

The Kugel-Khomskii (KK) Hamiltonian for the titanates describes spin and orbital superexchange interactions between $d^1$ ions in an ideal perovskite structure in which the three $t_{2g}$ orbitals are degenerate in energy and electron hopping is constrained by cubic site symmetry. In this paper we implement a variational approach to mean-field theory in which each site, $i$, has its own $n \times n$ single-site density matrix \rhov(i), where $n$, the number of allowed single-particle states, is 6 (3 orbital times 2 spin states). The variational free energy from this 35 parameter density matrix is shown to exhibit the unusual symmetries noted previously which lead to a wavevector-dependent susceptibility for spins in $\alpha$ orbitals which is dispersionless in the $q_\alpha$-direction. Thus, for the cubic KK model itself, mean-field theory does not provide wavevector `selection', in agreement with rigorous symmetry arguments. We consider the effect of including various perturbations. When spin-orbit interactions are introduced, the susceptibility has dispersion in all directions in ${\bf q}$-space, but the resulting antiferromagnetic mean-field state is degenerate with respect to global rotation of the staggered spin, implying that the spin-wave spectrum is gapless. This possibly surprising conclusion is also consistent with rigorous symmetry arguments. When next-nearest-neighbor hopping is included, staggered moments of all orbitals appear, but the sum of these moments is zero, yielding an exotic state with long-range order without long-range spin order. The effect of a Hund's rule coupling of sufficient strength is to produce a state with orbital order.Comment: 20 pages, 5 figures, submitted to Phys. Rev. B (2003