Helsinki University of Technology

About: Helsinki University of Technology is a based out in . It is known for research contribution in the topics: Thin film & Vortex. The organization has 8962 authors who have published 20136 publications receiving 723787 citations. The organization is also known as: TKK & Teknillinen korkeakoulu.

Coarse-grained model for phospholipid/cholesterol bilayer

Abstract: We construct a coarse-grained (CG) model for dipalmitoylphosphatidylcholine (DPPC)/cholesterol bilayers and apply it to large-scale simulation studies of lipid membranes. Our CG model is a two-dimensional representation of the membrane, where the individual lipid and sterol molecules are described by pointlike particles. The effective intermolecular interactions used in the model are systematically derived from detailed atomic-scale molecular dynamics simulations using the Inverse Monte Carlo technique, which guarantees that the radial distribution properties of the CG model are consistent with those given by the corresponding atomistic system. We find that the coarse-grained model for the DPPC/cholesterol bilayer is substantially more efficient than atomistic models, providing a speedup of approximately eight orders of magnitude. The results are in favor of formation of cholesterol-rich and cholesterol-poor domains at intermediate cholesterol concentrations, in agreement with the experimental phase diagram of the system. We also explore the limits of the coarse-grained model, and discuss the general validity and applicability of the present approach.

Direct imaging of self-organized Comb copolymer-like systems obtained by hydrogen bonding : Poly(4-vinylpyridine)-4-nonadecylphenol

Abstract: Comb copolymer-like systems obtained by hydrogen bonding between flexible polymers and nonmesogenic amphiphiles represent a class of supramolecular materials with interesting self-organizing properties. Here we present the first results of transmission electron microscopy applied to mesomorphic systems of poly(4-vinyl pyridine)-4-nonadecylphenol as a characteristic example. Phase contrast imaging of iodine-stained samples confirms the highly ordered lamellar structures with a long period of around 40 A inferred also from small-angle X-ray scattering data.

Regularity of the Fractional Maximal Function

Abstract: The purpose of this work is to show that the fractional maximal operator has somewhat unexpected regularity properties. The main result shows that the fractional maximal operator maps -spaces boundedly into certain first-order Sobolev spaces. It is also proved that the fractional maximal operator preserves first-order Sobolev spaces. This extends known results for the Hardy–Littlewood maximal operator.

Thermodynamics of bcc metals in phase-field-crystal models

Abstract: We examine the influence of different forms of the free-energy functionals used in the phase-field-crystal (PFC) model, and compare them with the second-order density-functional theory (DFT) of freezing, by using bcc iron as an example case. We show that there are large differences between the PFC and the DFT and it is difficult to obtain reasonable parameters for existing PFC models directly from the DFT. Therefore, we propose a way of expanding the correlation function in terms of gradients that allows us to incorporate the bulk modulus of the liquid as an additional parameter in the theory. We show that this functional reproduces reasonable values for both bulk and surface properties of bcc iron, and therefore it should be useful in modeling bcc materials. As a further demonstration, we also calculate the grain boundary energy as a function of misorientation for a symmetric tilt boundary close to the melting transition.