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A density-functional theory of the isotropic-nematic phase transition in both rigid and semiflexible hard-sphere chain fluids is described. The theory is based on an exact analytical evaluation of the excluded volume and second virial coefficient B-2 for rigid chain molecules, which demonstrates tha...
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A polycrystalline sample of Al63Cu25Fe12 has been studied as a function of thermal treatment by positron annihilation and X-ray diffraction techniques. Results suggest the presence of an icosahedral-to-rhombohedral microcrystalline phase transition near 300-degrees-C. Below this transition, a large ...
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We analyze the finite-size corrections to the free energy of crystals with a fixed center of mass. When we explicitly correct for the leading (ln N/N) corrections, the remaining free energy is found to depend linearly on 1/N. Extrapolating to the thermodynamic limit (N -->infinity), we estimate t...
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Interstitial quantification of the optical properties of tissue is important in biomedicine for both treatment planning of minimally invasive laser therapies and optical spectroscopic characterization of tissues, for example, prostate cancer. In a previous study, we analyzed a method first demonstra...
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Samples of the stable Al75Pd15Fe10 decagonal quasicrystal have been studied both in the as-cast state and after annealing. Structural properties were investigated using X-ray diffraction and Fe-57 Mossbauer effect studies. X-ray patterns show that annealing improves the degree of order in the decago...
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The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for ...
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Amorphous Al-Y-Ni alloys, prepared by rapid solidification from the melt, have shown a unique combination of low density and high tensile strength. In the present work amorphous alloys of the composition Al87Y8Ni5-xFex (2 less-than-or-equal-to x less-than-or-equal-to 5) have been studied using room ...
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Al-Cu-Fe alloys of several different stoichiometries have been prepared using a variety of sample preparation methods and have been studied using Fe-57 Mossbauer effect spectroscopy. Well ordered icosahedral, phason disordered icosahedral and rhombohedral crystalline phases were investigated. The re...
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Multipoint optical fluence measurements can potentially be used to detect coagulation-induced changes in optical propagation during interstitial laser thermal therapy. Estimating the dimensions of coagulation using on-line optical monitoring, which is applicable to treatments where the tip of the so...
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A Doppler broadening positron annihilation technique which allows for the study of near surface defects in bulk samples is described. The method is capable of observing changes in the homogeneous bulk defect concentration in a sample acid is also able to characterize spatially localized near-surface...
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Background and Objective: Interstitial Laser Photocoagulation (ILP) is a minimally invasive cancer treatment technique, whereby optical energy from implanted optical fibers is used to therapeutically heat small, solid tumors. In this work, the potential of ILP without tissue charring is investigated...
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Doppler-broadening positron-annihilation-spectroscopy experiment that utilizes an in situ Cu-64 source for the study of Cu and Cu-containing materials is described. This technique is particularly useful for the investigation of defect structure at elevated temperatures, and the present instrumentati...
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Molecular dynamics simulations are used to study the equilibrium properties and collapse dynamics of a heteropolymer in the presence of an explicit solvent in two dimensions. The system consists of a single copolymer chain composed of hydrophobic (H) and hydrophilic (P) monomers, immersed in a Lenna...
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Deuterium nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation times are used to investigate the guest and host molecular dynamics of solid 1,4-di-tert-butylbenzene-d4 (DTBB-d4), 1,4-di-tert-butylbenzene-d18 (DTBB-d18), the thiourea/ 1,4-di-tert-butylbenzene-d4 inclusion compound (TU...
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Using a low-temperature stage X-ray diffractometer, we have investigated the temperature dependence of the lattice parameters of single crystal superconductors Bi2.2Sr1.8CaCu2Ox. The experimental results show that (i) the lattice constants increase linearly with increasing temperature above about 10...
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Monte Carlo computer simulations were used to investigate the effects of shape anisotropy and electrostatic interactions as mechanisms for orientational ordering of solutes in nematic liquid crystals. The simulation results were analyzed in terms of two theories of solute ordering which derive mean-...
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Molecular dynamics simulations were used to study the conformational dynamics of a bead-spring model polymer in an explicit solvent under good solvent conditions. The dynamics of the polymer chain were investigated using an analysis of the time autocorrelation functions of the Rouse coordinates of t...
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In this work, we examine some of the properties of a model Langmuir monolayer, which consists of surfactant molecules (amphiphillic organic molecules) deposited onto a water subphase. The surfactants are modeled as rigid rods composed of a head and tail segment. The tails consist of 'nt' ≈ 4-...
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A novel optoacoustic phantom made of polyvinyl chloride-plastisol (PVCP) for optoacoustic studies is described. The optical and acoustic properties of PVCP were measured. Titanium dioxide (TiO2) powder and black plastic colour (BPC) were used to introduce scattering and absorption, respectively, in ...