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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2257-2270 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have studied the structure of a monolayer of C21H43OH on water, in the region near close packing, by grazing incidence in-plane x-ray diffraction. For all temperatures studied the isotherms in the πa plane show a kink, signaling a phase transition. Along an isotherm, and for pressures above the kink, we observe that the transverse structure factor has one peak which has constant position, width, and intensity; below the kink the diffraction peak shifts to smaller scattering vector (larger separation) and the amplitude decays as the surface pressure decreases, but the width of the peak remains constant. We rationalize these observations in terms of the influence on the transverse structure factor of gauche configurations in the amphiphile tails, with the kink representing the point at which the last of the gauche configurations is squeezed out of the chain. Along an isobar which is at higher pressure than the kink pressures of all isotherms crossed, the transverse structure factor has a single peak above a transition temperature and two peaks below that temperature; for π=30 dyn/cm the transition temperature is in the range 16.3〈T〈21.3 °C. We interpret this observation, by comparison with the properties of the lamellar crystalline n-paraffins, as a hexagonal-to-pseudohexagonal structural transition analogous to the crystal rotator II-to-rotator I transition. Our results imply that the hydrocarbon tails of the amphiphile molecules dominate the properties of the monolayer.
    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 90 (1989), S. 2393-2397 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Frequently, time-dependent effects are seen in monolayers of amphiphilic molecules (Langmuir films) when they are compressed, so that the pressure after some time is different from that recorded immediately after compression. We have identified for the first time a microscopic relaxation mechanism in monolayers of heneicosanol (C21H43OH): namely, a transition from a uniaxially distorted ("pseudohexagonal'') structural, formed upon compression, to an undistorted hexagonal structure. For T〉20 °C we observe only an apparently hexagonal phase, while at T=5 °C we observe only an apparently stable pseudohexagonal phase. When 10≤T≤20 °C, the monolayer structure changes with time from pseudohexagonal to hexagonal. The rate at which this transformation occurs is strongly temperature dependent. We propose that the observed temperature dependence is determined by the rate of nucleation of a hexagonal phase from a metastable shear-induced structure.
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 509-512 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Dynamical heterogeneity and the decoupling of diffusion and relaxation in a supercooled liquid is investigated via a time-dependent, four-point density correlation function. We show that the main contribution to the corresponding generalized susceptibility χ4(t) in a molecular dynamics simulation of a Lennard-Jones liquid arises from spatial correlations between temporarily localized ("caged") particles. By comparing χ4(t) with a generalized susceptibility χM(t) related to a correlation function for the squared particle displacements, we demonstrate a connection between dynamical heterogeneity and the decoupling of relaxation and diffusion. © 2000 American Institute of Physics.
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 9834-9840 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the long held view that below a crossover temperature, Tx, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy landscape. In agreement with previous proposals, we find that Tx is within the vicinity of the mode-coupling critical temperature Tc. We further find that near Tx, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance. © 2000 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 4129-4137 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Neural networks provide an efficient, general interpolation method for nonlinear functions of several variables. This paper describes the use of feed-forward neural networks to model global properties of potential energy surfaces from information available at a limited number of configurations. As an initial demonstration of the method, several fits are made to data derived from an empirical potential model of CO adsorbed on Ni(111). The data are error-free and geometries are selected from uniform grids of two and three dimensions. The neural network model predicts the potential to within a few hundredths of a kcal/mole at arbitrary geometries. The accuracy and efficiency of the neural network in practical calculations are demonstrated in quantum transition state theory rate calculations for surface diffusion of CO/Ni(111) using a Monte Carlo/path integral method. The network model is much faster to evaluate than the original potential from which it is derived. As a more complex test of the method, the interaction potential of H2 with the Si(100)-2×1 surface is determined as a function of 12 degrees of freedom from energies calculated with the local density functional method at 750 geometries. The training examples are not uniformly spaced and they depend weakly on variables not included in the fit. The neural net model predicts the potential at geometries outside the training set with a mean absolute deviation of 2.1 kcal/mole. © 1995 American Institute of Physics.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 90 (2001), S. 6513-6525 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present a simple model of the signals transmitted by global positioning system (GPS) satellites and of the reception of these signals by a GPS receiver, neglecting atmospheric effects. The model idealizes the receiver and transmitter as electric dipole antennas. We derive the open-circuit voltage induced in the antenna of the receiver as a function of time, position, velocity, and orientation of the respective antenna. As an application of this model, we show that by using a single dipole antenna, a user of the GPS can compute his position, time, and two angles of attitude, by tracking the phases of the open-circuit antenna voltages for six GPS satellites.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Using rapid thermal processing (RTP) we recently demonstrated the production of high quality well ordered barium ferrite films in times much shorter than those required by a conventional annealing process. Influence over the magnetic and structural properties developed in annealed samples was also achieved by variation of the RTP heating profile (R. Carey, P. A. Gago-Sandoval, D. M. Newman, and B. W. J. Thomas, presented at Intermag-93, Stockholm, April 13–16, 1993). It is known that the magneto-optic properties of barium ferrite can be enhanced by selective substitution of some of the Fe by Co2+ and Ti4+ albeit at the expense of reducing the magnetic anisotropy. A multitarget scanning cosputtering process has been used in conjunction with rapid thermal processing to produce a series of barium ferrite films in which Co, Cr, Mn, Ni are selectively introduced to substitute for between 5 and 20 at. % of the Fe. A corresponding percentage of Ti is also added to maintain charge compensation. The magnetic and magneto-optic properties of these films are presented and discussed with reference to their composition and treatment respect to the properties of barium ferrite.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 75 (1994), S. 7081-7083 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Nonstoichiometric, Pt deficient, PtMnSb films have been investigated for evidence of the increase in coercivity suggested by the work of Marinero [Appl. Surf. Sci. 43, 117 (1989)]. Structural, magnetic, and magneto-optic properties of thin PtMnSb films of different compositions annealed in under 30 s using a rapid thermal processing (RTP) system [Carey et al., IEEE Meeting on Current Topics in Applied Magnetism, Keele University, 4 November 1992 (unpublished), Paper 15; J. Magn. Soc. Jpn. 17, 290 (1993)], have been determined. It is shown that the crystalline texture of the films can be controlled by adjustments in composition and RTP time and that Pt deficiency produces increases in coercivity. The production of coercivity does not correlate with the marked changes in texture but appears to be associated with the development of MnSb phases within the PtMnSb microstructure.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 75 (1994), S. 7087-7089 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Optimization of tri- or quadrilayer magneto-optic recording media requires knowledge of the optical and/or magneto-optical constants for all of the individual active or passive layers that together comprise the complete disk structure. The optical (n+ik) and first-order magneto-optical (Q1+iQ2) constants for two series (i) (Tb23Fe72.5Co4.5)100−xPrx, (ii) (Tb27Fe65Co8)100−xPrx of Pr substituted TbFeCo films, for which x varies between 0 and 30, have been determined by a combination of ellipsometry and Kerr polarimetry. Ellipsometry has also been used to determine independently the optical constants of the optimized SiN passivation layers developed to protect these samples. Using constants determined experimentally on thick samples, the variation of the polar Kerr rotation and ellipticity as a function of magnetic film thickness has been calculated for light incident from both the air and substrate side of a typical trilayer magneto-optic disk structure in which material from the above series, the magnetic and thermomagnetic properties of which have been previously reported [Carey et al., J. Magn. Magn. Mater. (to be published)], forms the active storage layer. The agreement obtained with measurements demonstrates the self-consistency of the modeling process and the validity of the determined constants.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Chaos 1 (1991), S. 455-461 
    ISSN: 1089-7682
    Source: AIP Digital Archive
    Topics: Physics
    Notes: It is shown that a phenomenon analogous to the geometric phase shifts of Berry and Hannay occurs for dissipative oscillatory systems and can be detected in numerical simulations of chemical oscillators. The approach herein to the theory of geometric phases begins with a study of simple first-order differential equations on the circle (circle dynamics). It is shown how more complicated systems exhibit geometric phases through reduction to a circle dynamics. In this way, the various manifestations of the phenomenon are seen from a single unified perspective. The results are illustrated in numerical experiments on several model systems ranging from analytically solvable, but contrived, to realistic models of chemical oscillators.
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