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  • 1
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Monte Carlo simulations of the randomly frustrated three-dimensional Heisenberg model with a moderate fraction (≤20%) of antiferromagnetic bonds show evidence of two distinct ordering events. Below Tc the spins align collinearly and exhibit ferromagnetic order, while below Txy the transverse components of the spins freeze leading to a noncollinear spin structure dominated by ferromagnetic correlations. The phase diagram and behavior of the calculated parameters agree qualitatively with those of experimental systems.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 5852-5858 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this study we present a unified theoretical description of neutral, saturated, phospholipid monolayers at air–water interfaces. This model encompasses the liquid-condensed (LC) to liquid-expanded (LE) and liquid-expanded to surface gas (SG) phase transitions observed in such systems. The model is a lattice model of lipid hydrocarbon chains which allows for the introduction of free volume. The lipid chains can be upright in a ground or excited state or collapsed relative to the substrate. Furthermore, the chains interact via short range potentials due to steric, van der Waals, and dipolar forces. We show that the LC/LE phase transition is to be understood as a chain melting transition and through the growth of lipid domains across the transition. We further show that the LE/SG transition involves the creation of large amounts of free volume into which the lipid chains can collapse.
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 6010-6021 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new theory is developed for a polar electrolyte adjacent to a charged surface. This model explicitly includes the polar nature of the solvent by modeling the electrolyte as a system of point charges and point dipoles, with the number density of ions plus dipoles constrained to be constant. The free energy of the model electrolyte is derived in the continuum limit to yield two coupled differential equations describing the electrolyte. Values of the potential V, polarization P, dielectric constant ε, and local mole fraction of dipoles f are evaluated as functions of the distance x from the charged surface. These are compared with the predictions of standard Gouy–Chapman–Debye–Hückel (GCDH) theory. A significant supression of ε(x) is observed close to the surface. This model electrolyte is then used to investigate the behavior of charged lipid bilayers. In particular the pressure between two identical charged bilayers is calculated from the appropriate free energy derivative. GCDH-like behavior is found for separations greater than 15 A(ring). However, for separations below 15 A(ring) an exponentially decaying short range repulsive force is predicted, with a decay length of (approximately-equal-to)1.4 A(ring). This decay length is of the same order of magnitude as those observed in measurements of short range forces between phospholipid bilayers.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 40 (1980), S. 103-110 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A model is described which has been used in theoretical studies of a variety of phenomena (which are briefly summarized) relating to biological membranes. It is shown that the Hamiltonian describing this model can be mapped onto an Ising Hamiltonian with a temperature dependent field. It is also shown that this field varies linearly with temperature in the critical region. Exact solutions of this model are presented and its first and second order transitions are discussed with an emphasis on obtaining its critical indices. General considerations lead to the following relations: β=1/δ, α=γ, α′=γ′, where α, β, γ, δ are the critical indices for the specific heat, magnetization, susceptibility and critical isotherm respectively (the primes denoting low temperature indices). These relations are demonstrated explicitly for the Bethe lattice with coordination numbersq=2 and 6.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 19 (1975), S. 269-276 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The scattering formalism of Blaker and Harris which is appropriate to potential scattering in dilute cubic alloys is modified to include the spin-dependent scattering. An expression for the total T-matrix which describes the ordinary and exchange scattering by magnetic impurities is obtained. The new formalism is compared with other work in the area and is used to discuss the dHvA data for Kondo alloys based on Cu and Au.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    European biophysics journal 14 (1986), S. 53-61 
    ISSN: 1432-1017
    Keywords: Lipid bilayers ; statistical mechanics ; steric interactions ; one dimensional ; ripple phase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract We present a theoretical model of a lipid bilayer in its gel state which explicity couples the vertical displacements of the lipid chains to their conformational state. In this model the chains are free to move longitudinally under a potential due to the neighbouring chains. The potential is due to a restoring force with a force constant k and thus acts to keep them in the local plane as defined by their nearest neighbours. It is demonstrated that the force constant k is directly related to the internal bilayer pressure, Π, and that if a value Π=33 dynes/cm is assumed then k=17.3 dynes/cm. Steric effects are explicity included by allowing chains to twist into free volume created by the vertical displacement of neighbouring chains. The Hamiltonian is expressed in terms of the projection operators, P ij , describing the displacement of chain i relative to a neighbour j, and G ij describing the direction of a twist in chain i. The model is solved both analytically and via Monte Carlo simulations for a one-dimensional system. The possibility of phase-transitions in two-dimensions and the relevance to the bilayer pre-transition is discussed.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    European biophysics journal 12 (1985), S. 75-86 
    ISSN: 1432-1017
    Keywords: Lipid bilayer ; phase transition ; clusters ; metastability ; compressibility
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The softening of wet lipid bilayer membranes during their gel-to-fluid first-order phase transition is studied by computer simulation of a family of two-dimensional microscopic interaction models. The models include a variable number, q, of lipid chain conformational states, where 2≦q≦10. Results are presented as functions of q and temperature for a number of bulk properties, such as internal energy, specific heat, and lateral compressibility. A quantitative account is given of the statistics of the lipid clusters which are found to form in the neighborhood of the transition. The occurrence of these clusters is related to the softening and the strong thermal density fluctuations which dominate the specific heat and the lateral compressibility for the high-q models. The cluster distributions and the fluctuations behave in a manner reminiscent of critical phenomena and percolation. The findings of long-lived metastable states and extremely slow relaxational behavior in the transition region are shown to be caused by the presence of intermediate lipid chain conformational states which kinetically stabilize the cluster distribution and the effective phase coexistence. This has as its macroscopic consequence that the first-order transition apperas as a “continuous” transition, as invariably observed in all experiments on uncharged lecithin bilayer membranes. The results also suggest an explanation of the non-horizontal isotherms of lipid monolayers. Possible implications of lipid bilayer softening and enhanced passive permeability for the functioning of biological membranes are discussed.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    European biophysics journal 15 (1987), S. 77-86 
    ISSN: 1432-1017
    Keywords: Lipid bilayer ; acyl chain ordering ; crystallization ; grain-boundary formation ; interfacial melting
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The main gel-fluid phase transition of wet lipid bilayers is examined in terms of a microscopic interaction model which incorporates both trans-gauche isomerism of the lipid acyl chains and crystal orientation variables for the lipid molecules. The model gives two scenarios for the phase behavior of wet lipid bilayers in terms of temperature: (i) chain melting occurs at a higher temperature than crystallization, or (ii) chain melting and crystallization occur at the same temperature. Experimental data for lipid bilayers is consistent with the second scenario. In this case, computer simulation is used to investigate the non-equilibrium behaviour of the model. The numerical data is intepreted in terms of interfacial melting on heating and grain formation on cooling through the main phase transition. Interfacial melting is a non-equilibrium process in which the grains of a polycrystalline bilayer melt inwards from the boundaries. The prediction of interfacial melting in wet lipid bilayers is examined in relation to data from both equilibrium and nonequilibrium measurements, to corresponding phase behavior in monolayers, and to previous theoretical work.
    Type of Medium: Electronic Resource
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  • 9
    ISSN: 1432-1017
    Keywords: Bilayers ; monolayers ; theoretical models ; thermodynamics ; internal pressure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract We have modelled a phospholipid bilayer as two monolayer sheets which interact with each other by a coupling which depends upon the states of the lipid hydrocarbon chains in each sheet. We make use of a model (Georgallas and Pink 1982a) and its parameters, already used to study monolayer phase changes at the LC-LE transition, in order to study the lipid main transition. Although the monolayer coexistence curve can be calculated exactly, we have made use of high-temperature series expansions to calculate the critical point of the bilayer. We also present the results of computer simulations on triangular lattices for the pressure-area isotherms. We find: (i) the interaction between the sheets of a DPPC bilayer is about 1.5–2% of the maximum interaction within the plane of each sheet; (ii) the internal lateral pressure of a DPPC bilayer is about 30.5 dyne/cm; (iii) the bilayer transition enthalpy depends sensitively upon the coupling between the sheets. Should this coupling vary from sample to sample (due, possibly, to its preparation) then very different values of transition enthalpy may be measured. (iv) We present a rough rule-of-thumb for estimating the internal lateral pressure of a bilayer from a knowledge of the corresponding monolayer pressure-area isotherms.
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