Intramolecular and Lattice Melting in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">n</mml:mi></mml:math>-Alkane Monolayers: An Analog of Melting in Lipid Bilayers

Hansen, Flemming Yssing; Herwig, K. W.; Matthies, B.; Taub, H.

doi:10.1103/physrevlett.83.2362

Cited by 61 publications

(75 citation statements)

References 18 publications

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“…Although most of the data for monolayers of molecular nitrogen [1][2][3][4][5] are for solids, the recent extensions of quasielastic neutron [6][7][8] and helium atom 9 scattering experiments raise the prospect that data on the dynamics of the fluid phases may become available. Here, we characterize the diffusive motions in monolayer N 2 fluids using molecular dynamics simulations and explore how these motions are reflected in the correlation functions for inelastic scattering.…”

Section: Introductionmentioning

confidence: 99%

“…10 The analysis of rotational diffusion here has application to the modeling of related phenomena arising in experiments on more complex fluids. 8 Quasielastic neutron scattering ͑QNS͒ from adsorbed films has thus far been performed on hydrogenous materials, exploiting the large incoherent cross section of hydrogen. In contrast, low-energy neutron scattering from 14 N is dominated by the coherent cross section.…”

Section: Introductionmentioning

confidence: 99%

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Molecular diffusion in monolayer and submonolayer nitrogen

Hansen¹,

Bruch²

2001

Phys. Rev. B

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The orientational and translational motions in a monolayer fluid of physisorbed molecular nitrogen are treated using molecular dynamics simulations. Dynamical response functions and several approximations to the coefficient of translational diffusion are determined for adsorption on the basal plane surface of graphite and on a fictitious uncorrugated graphite surface. The rotational diffusion constants in the plastic crystal and in the fluid phase are calculated. The possibility of observing these phenomena with quasielastic scattering experiments is discussed. The wave vector range is determined where the ballistic approximation to the translational molecular self-correlation function is accurate.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular diffusion in monolayer and submonolayer nitrogen

Hansen¹,

Bruch²

2001

Phys. Rev. B

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“…In agreement with the growth mode inferred experimentally for the Ag(111) surface (figure 4), the simulation shows nearly two complete layers of molecules oriented with their long axis parallel to the surface. The structure of these parallel layers resembles the crystalline monolayer structure on graphite simulated earlier [4]. .…”

Section: Discussionmentioning

confidence: 54%

“…The simulation cell contained a total of 224 C24 molecules placed above the graphite surface in 7 layers of 32 molecules each. Initially, the molecules had their long axis (defined as the principal axis with the smallest moment of inertia) aligned parallel to the surface in the same configuration that the simulations had given for a crystalline monolayer on graphite [4]. Figure 5 shows an x-z view (z-axis perpendicular to the graphite surface) of the instantaneous configuration of the fluid film at 370 K after it was allowed to evolve for 14 ns.…”

Section: Discussionmentioning

confidence: 99%

“…Subsequently, structural studies of short-alkane films (n = 4, 6, and 7) have been extended to synchrotron x-ray scattering experiments on films vapour-deposited on single-crystal Ag(111) substrates in ultrahigh vacuum (UHV) [2]. There have also been neutron diffraction experiments on films of intermediate-length alkanes (n = 24 and 32) deposited both from vapour phase and from solution onto Grafoil substrates [3,4].…”

Section: Introductionmentioning

confidence: 99%

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Studies of the structure and growth mode of dotriacontane films by synchrotron x-ray scattering and molecular dynamics simulations

Trogisch

Taub

et al. 2004

J. Phys.: Condens. Matter

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We report on synchrotron x-ray scattering experiments and molecular dynamics simulations of the structure and growth mode of dotriacontane (n-C 32 H 66 or C32) films adsorbed on Ag(111) and SiO 2 -coated Si(100) substrates. On the SiO 2 surface, the x-ray measurements confirm a structural model of the solid film inferred from high-resolution ellipsometry measurements in which one or two layers of C32 adsorb with the long axis of the molecule oriented parallel to the interface followed by a monolayer in which the molecules have a perpendicular orientation. At higher C32 coverages, preferentially oriented bulk particles nucleate, consistent with a Stranski-Krastanov growth mode. On the Ag(111) surface, we again observe one or two layers of the 'parallel' film but no evidence of the perpendicular monolayer before nucleation of the preferentially oriented bulk particles. We compare the experimentally observed structures with molecular dynamics simulations of a multilayer film of the homologous C24 molecule.

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Structure and growth of dotriacontane films on SiO2 and Ag(111) surfaces: synchrotron X-ray scattering and molecular dynamics simulations

Trogisch

Taub³

et al. 2004

phys. stat. sol. (a)

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We report synchrotron X‐ray scattering experiments and molecular dynamics simulations of the structure and growth mode of dotriacontane (n‐C32H66 or C32) films adsorbed on Ag(111) and SiO2‐coated Si(100) substrates. On the SiO2 surface, the X‐ray measurements confirm a structural model of the solid film inferred from high‐resolution ellipsometry measurements in which one or two layers of C32 adsorb with the long axis of the molecule oriented parallel to the interface followed by a monolayer in which the molecules have a perpendicular orientation. At higher C32 coverages, preferentially oriented bulk particles nucleate consistent with a Stranski–Krastanov growth mode. On the Ag(111) surface, we again observe one or two layers of the “parallel” film but no evidence of the perpendicular monolayer before nucleation of the preferentially oriented bulk particles. We compare the experimentally observed structures with molecular dynamics simulations of a multilayer film of the homologous C24 molecule. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Intramolecular and Lattice Melting inn-Alkane Monolayers: An Analog of Melting in Lipid Bilayers

Cited by 61 publications

References 18 publications

Molecular diffusion in monolayer and submonolayer nitrogen

Molecular diffusion in monolayer and submonolayer nitrogen

Studies of the structure and growth mode of dotriacontane films by synchrotron x-ray scattering and molecular dynamics simulations

Structure and growth of dotriacontane films on SiO2 and Ag(111) surfaces: synchrotron X-ray scattering and molecular dynamics simulations

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