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  • 1
    Electronic Resource
    Electronic Resource
    Sedimentation coefficient and x-ray scattering of a double-helical model for deoxyribonucleic acid (1976)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 80 (1976), S. 2028-2035 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100559a016
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  • 2
    Electronic Resource
    Electronic Resource
    Buildup of electrooptic properties of axially symmetric macromolecules in fields of arbitrary strength studied by Brownian dynamics simulation (1991)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 95 (1991), S. 952-955 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100155a083
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  • 3
    Electronic Resource
    Electronic Resource
    Simulation of polymer chains in elongational flow. Kinetics of chain fracture and fragment distribution (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 4549-4554 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper the Brownian dynamics technique for computer simulation of the fracture of polymer chains in a dilute solution subjected to elongational flow was used. Individual randomly coiled chains are placed at the stagnation point of a steady, uniaxial flow, and their evolution with time is monitored for chain fracture. The chains are modeled either as Rouse chains with a cutoff spring length, or as chains of springs obeying a Morse potential. Kinetic parameters are the first-order kinetic constant and the half-life time. The dependence of these parameters with elongational rate and chain length is expressed in the form of scaling laws, and the results are compared for the two models. Also studied was the size distribution of the resulting fracture fragments, finding that it may vary from sharply peaked to uniform, depending on the strength of the flow.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463899
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  • 4
    Electronic Resource
    Electronic Resource
    Simulation of polymer chains in elongational flow. Steady-state properties and chain fracture (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 9384-9392 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The behavior of polymer chains in steady, uniaxial elongational flows is studied using the Brownian dynamics simulation technique. Two different types of chain models are considered. One is the bead-and-spring Rouse chain and the other is a chain with breakable connectors that obey a Morse potential. The dynamics of Rouse chains and Morse chains is simulated both without and with hydrodynamic interaction (HI) between chain elements. From the simulated trajectories, steady-state properties such as chain dimensions and elongational viscosities are calculated. When HI is accounted for by using the Rotne–Prager–Yamakawa tensor, the calculated dimensions and viscosities are appreciably lower than when it is neglected. Carrying out simulations with varying elongational rate, it is possible to observe stretching and finally the fracture of the polymer chains. The critical elongational rate, corresponding to infinite elongation in the case of Rouse chains, and the fracture of the Morse chains has been characterized as a function of chain length. When the short length of the simulated chains is accounted for adequately, we find that the elongational rate needed for fracture ε(overdot)f scales with molecular weight M as ε(overdot)f∝M−2. This result, which had already been predicted rigorously without HI, holds in practice as well when hydrodynamic interaction is considered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461166
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  • 5
    Electronic Resource
    Electronic Resource
    A second-order algorithm for the simulation of the Brownian dynamics of macromolecular models (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 2015-2018 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Most recent works on Brownian dynamics simulation employ a first-order algorithm developed by Ermak and McCammon [J. Chem. Phys. 69, 1352 (1978)]. In this work we propose the use of a second-order algorithm in which the step is a combination of two first-order steps, like in the second-order Runge–Kutta method for differential equations. Although the computer time per step is roughly doubled, the second-order algorithm is more efficient than the previous one because a given accuracy in the results can be achieved with less than half the number of steps. The new algorithm also allows for longer time steps without divergence. The advantage of the new procedure is illustrated in the simulation of four macromolecular systems: A quasirigid dumbbell, a semiflexible trumbbell, a semiflexible hinged rod, and a Gaussian polymer chain.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458034
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  • 6
    Electronic Resource
    Electronic Resource
    Study of self-limiting oxidation of silicon nanoclusters by atomistic simulations (2002)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 92 (2002), S. 1084-1094 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present molecular dynamics simulations directed at understanding self-limiting oxidation of nanoclusters. Atomic oxygen is inserted in an atom-by-atom way in the silicon bonds to form silicon oxide. First, we focus on planar oxidation to calibrate our model and test its capabilities. Then, we present results on oxidation of 50 Å diam silicon spheres. Kinetic causes of self-limitation are investigated by drawing a map of the local stress in the Si/SiO2 system. We obtain stresses in contrast to in continuum models. For thin oxides, we find in particular tensile pressure in the silicon core and a pressure gradient in the oxide shell. We investigate the effect of pressure gradient on the O2 transport within the framework of Nerst–Eintein's transport equation. We find that a pressure gradient compatible with experimental estimates yields self-limitation of the oxidation kinetics. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1489094
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  • 7
    Electronic Resource
    Electronic Resource
    A sensitive cryogenic refractometer. Application to the refractive index determination of pure or mixed liquid methane, ethane, and nitrogen (1992)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 63 (1992), S. 2967-2973 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A cryogenic refractometer is described. It enables preparation of liquefied samples and measurement of their refractive index at low temperatures (down to 20 K). The liquid sample can be a pure liquefied gas or a mixture. The composition of the liquid mixture can be estimated from the volume and pressure of each gas measured during the liquefying process. The determination of absolute values of the refractive index necessitates a calibration, therefore the accuracy is limited to 10−3 index unit. Sensitivity and reproductibility are better (5× 10−4) and could be improved to 10−4. The refractive index of pure liquid methane was determined at several temperatures (91–106 K) and 670 nm. The results obtained agree with the published data. The refractive index of mixtures of liquid methane and ethane, with and without dissolved nitrogen, was also determined at 94 K and 1.5 bar total pressure, for which conditions no data were previously available.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1142594
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  • 8
    Electronic Resource
    Electronic Resource
    High-resolution deposition rate monitor (1993)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 64 (1993), S. 247-249 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A 16-MHz piezoelectric quartz resonator has been used to build up a high-resolution deposition rate monitor. A direct counting allows a resolution of 1 ng/cm2 at a rate of one reading per second. Direct computer interface and increase in the voltage excitation above the plasma noise level have been successfully used to monitor the deposition rate in a dc sputtering apparatus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1144445
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  • 9
    Electronic Resource
    Electronic Resource
    Beyond the solid on solid model: An atomic dislocation formation mechanism (1998)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 5487-5494 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We investigate the growth of mismatched thin films by a kinetic Monte Carlo computer simulation. The strain is introduced through an elastic energy term based on a valence force field approximation and stress is relaxed along "atomic chains" at each step of the simulation. The calculations use a set of elementary atomic processes including, besides well-known standard processes, the collective incorporation of atoms. This leads us to introduce a new "hanging" position with only one bond created toward the substrate contrary to solid on solid models. This position plays a role of defects initiation, and thus an atomic dislocation nucleation mechanism is described. Finally, we present the influence of a step in the dislocations creation. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.368312
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  • 10
    Electronic Resource
    Electronic Resource
    Miniature liquid-3He refrigerator (1985)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 56 (1985), S. 318-320 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The use of a cryopump and high-pressure, internal storage of the cryogen makes it possible to miniaturize a one-shot recyclable 3He refrigerator while at the same time improving its performance. Because of their simplified interface requirements, such refrigerators are readily incorporated into existing 4He cryostats, allowing a convenient extension of their operating range down to 0.3 K. An analysis of the parameters describing refrigerator performance (condensation time, heat transfer to the 4He bath, lifetime, and refrigeration power) leads to the definition of an optimized refrigerator. Measured performance characteristics of a miniature [2-l standard temperature and pressure (STP) of 3He] refrigerator used in laboratory and stratospheric balloon-borne experiments are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1138350
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