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Title:

Computer simulation studies of finite-size broadening of solid-liquid interfaces: From hard spheres to nickel

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Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni (the latter modeled by a potential of the embedded atom type). Different local order parameters are considered to obtain order parameter profiles fo...

Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni (the latter modeled by a potential of the embedded atom type). Different local order parameters are considered to obtain order parameter profiles for systems where the crystal phase is in coexistence with the fluid phase, separated by interfaces with (100) orientation of the crystal. From these profiles, the mean-squared interfacial width w^2 is extracted as a function of system size. We rationalize the prediction of capillary wave theory that w^2 diverges logarithmically with the lateral size of the system. We show that one can estimate the interfacial stiffness from the interfacial broadening, obtaining 0.5 k_B T/sigma^2 for hard spheres and 0.18 J/m^2 for Ni. ; Comment: 15 pages, 7 figures Minimize

Year of Publication:

2009-05-12

Document Type:

text

Subjects:

Condensed Matter - Materials Science ; Condensed Matter - Mesoscale and Nanoscale Physics

Condensed Matter - Materials Science ; Condensed Matter - Mesoscale and Nanoscale Physics Minimize

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541 Physical chemistry *(computed)*

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Title:

Band Crossing and Novel Low-Energy Behaviour in a Mean Field Theory of a Three-Band Model on a Cu--O lattice

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We study correlation effects in a three-band extended Hubbard model of Cu -- O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with each region. With increasing direct overlap between oxygen orbitals, $t_{pp} >0$, the solution displays a ba...

We study correlation effects in a three-band extended Hubbard model of Cu -- O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with each region. With increasing direct overlap between oxygen orbitals, $t_{pp} >0$, the solution displays a band crossing which, for an extended range of parameters, lies close to the Fermi level. In turn this leads to the nearly nested character of the Fermi surface and the resulting linear temperature dependence of the quasi-particle relaxation rate for sufficiently large T. We also discuss the effect of band crossing on the optical conductivity and comment on the possible experimental relevance of our findings. ; Comment: 12 pages, Latex-Revtex, 6 PostScript figures. Submitted to Phys. Rev. B Minimize

Year of Publication:

1997-09-08

Document Type:

text

Subjects:

Condensed Matter

Condensed Matter Minimize

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Title:

cond-mat/9709099 Submitted to Phys. Rev. B Band Crossing and Novel Low-Energy Behaviour in a Mean Field Theory of a Three-Band Model on a Cu–O lattice

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We study correlation effects in a three-band extended Hubbard model of Cu–O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with each region. With increasing direct overlap between oxygen orbitals, tpp> 0, the solution displays a band cross...

We study correlation effects in a three-band extended Hubbard model of Cu–O planes within the 1/N mean field approach, in the infinite U limit. We investigate the emerging phase diagram and discuss the low energy scales associated with each region. With increasing direct overlap between oxygen orbitals, tpp> 0, the solution displays a band crossing which, for an extended range of parameters, lies close to the Fermi level. In turn this leads to the nearly nested character of the Fermi surface and the resulting linear temperature dependence of the quasi-particle relaxation rate for sufficiently large T. We also discuss the effect of band crossing on the optical conductivity and comment on the possible experimental relevance of our findings. Minimize

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The Pennsylvania State University CiteSeerX Archives

Year of Publication:

2013-07-26

Source:

http://arxiv.org/pdf/cond-mat/9709099v1.pdf

http://arxiv.org/pdf/cond-mat/9709099v1.pdf Minimize

Document Type:

text

Language:

en

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Metadata may be used without restrictions as long as the oai identifier remains attached to it.

Metadata may be used without restrictions as long as the oai identifier remains attached to it. Minimize

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Title:

Critical Dynamics in a Binary Fluid: Simulations and Finite-size Scaling

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We report comprehensive simulations of the critical dynamics of a symmetric binary Lennard-Jones mixture near its consolute point. The self-diffusion coefficient exhibits no detectable anomaly. The data for the shear viscosity and the mutual-diffusion coefficient are fully consistent with the asymptotic power laws and amplitudes predicted by ren...

We report comprehensive simulations of the critical dynamics of a symmetric binary Lennard-Jones mixture near its consolute point. The self-diffusion coefficient exhibits no detectable anomaly. The data for the shear viscosity and the mutual-diffusion coefficient are fully consistent with the asymptotic power laws and amplitudes predicted by renormalization-group and mode-coupling theories {\it provided} finite-size effects and the background contribution to the relevant Onsager coefficient are suitably accounted for. This resolves a controversy raised by recent molecular simulations. ; Comment: 4 pages, 4 figures Minimize

Year of Publication:

2006-04-04

Document Type:

text

Subjects:

Condensed Matter - Statistical Mechanics

Condensed Matter - Statistical Mechanics Minimize

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Title:

Tension and stiffness of the hard sphere crystal-fluid interface

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A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0...

A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66 kT/\sigma^2 with a small anisotropy of about 0.025 kT and stiffnesses with e.g. 0.53 kT/\sigma^2 for the (001) orientation and 1.03 kT/\sigma^2 for the (111) orientation. Here kT is denoting the thermal energy and \sigma the hard sphere diameter. We compare our results with existing experimental findings. Minimize

Year of Publication:

2012-03-13

Document Type:

text

Subjects:

Condensed Matter - Soft Condensed Matter

Condensed Matter - Soft Condensed Matter Minimize

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Title:

Static and Dynamic Critical Behavior of a Symmetrical Binary Fluid: A Computer Simulation

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A symmetrical binary, A+B Lennard-Jones mixture is studied by a combination of semi-grandcanonical Monte Carlo (SGMC) and Molecular Dynamics (MD) methods near a liquid-liquid critical temperature $T_c$. Choosing equal chemical potentials for the two species, the SGMC switches identities (${\rm A} \to {\rm B} \to {\rm A}$) to generate well-equili...

A symmetrical binary, A+B Lennard-Jones mixture is studied by a combination of semi-grandcanonical Monte Carlo (SGMC) and Molecular Dynamics (MD) methods near a liquid-liquid critical temperature $T_c$. Choosing equal chemical potentials for the two species, the SGMC switches identities (${\rm A} \to {\rm B} \to {\rm A}$) to generate well-equilibrated configurations of the system on the coexistence curve for $T T_c$. A finite-size scaling analysis of the concentration susceptibility above $T_c$ and of the order parameter below $T_c$ is performed, varying the number of particles from N=400 to 12800. The data are fully compatible with the expected critical exponents of the three-dimensional Ising universality class. The equilibrium configurations from the SGMC runs are used as initial states for microcanonical MD runs, from which transport coefficients are extracted. Self-diffusion coefficients are obtained from the Einstein relation, while the interdiffusion coefficient and the shear viscosity are estimated from Green-Kubo expressions. As expected, the self-diffusion constant does not display a detectable critical anomaly. With appropriate finite-size scaling analysis, we show that the simulation data for the shear viscosity and the mutual diffusion constant are quite consistent both with the theoretically predicted behavior, including the critical exponents and amplitudes, and with the most accurate experimental evidence. ; Comment: 35 pages, 13 figures Minimize

Year of Publication:

2006-03-22

Document Type:

text

Subjects:

Condensed Matter - Statistical Mechanics

Condensed Matter - Statistical Mechanics Minimize

DDC:

541 Physical chemistry *(computed)*

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Title:

Vergleich von Patienten/innen vor und nach Adipositaschirurgie hinsichtlich kognitiver Funktionen und psychopathologischer Variablen

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German Medical Science GMS Publishing House; Düsseldorf

Year of Publication:

2014-03-17

Source:

M0231

M0231 Minimize

Document Type:

conferenceObject

Language:

deu

Subjects:

ddc:610

ddc:610 Minimize

Rights:

http://www.egms.de/en/terms.htm

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Computer simulation studies of finite-size broadening of solid-liquid interfaces: From hard

Computer simulation studies of finite-size broadening of solid-liquid interfaces: From hard Minimize

Contributors:

The Pennsylvania State University CiteSeerX Archives

Year of Publication:

2012-12-04

Source:

http://arxiv.org/pdf/0905.1923v1.pdf

http://arxiv.org/pdf/0905.1923v1.pdf Minimize

Document Type:

text

Language:

en

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Metadata may be used without restrictions as long as the oai identifier remains attached to it.

Metadata may be used without restrictions as long as the oai identifier remains attached to it. Minimize

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Title:

Evaluation of Intra-Operative Abdominal Wall Perfusion in Post-Bariatric Abdominal Dermolipectomy

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Objective: Abdominal dermolipectomy after massive weight loss has become a standard procedure. However the complication rates such as wound necrosis or secondary healing complications are still high. In this context ischaemia or inadequate micro-perfusion are known as triggers of wound healing complications. Little is known about the regional pe...

Objective: Abdominal dermolipectomy after massive weight loss has become a standard procedure. However the complication rates such as wound necrosis or secondary healing complications are still high. In this context ischaemia or inadequate micro-perfusion are known as triggers of wound healing complications. Little is known about the regional perfusion patterns before and after post-bariatric abdominal dermolipectomy. This study focuses on assessment of intraoperative micro-perfusion patterns of the abdominal tissue. Methods: The perfusion of the abdominal wall flap was monitored intra-operatively in 17 patients with an average BMI of 29.2 8 3.7 kg/m 2 after bariatric surgery. All patients underwent abdominal post-bariatric dermolipectomy after massive weight loss while applying the non-invasive O2C laser-spectrophotometer. The micro-perfusion parameters oxygen saturation (SO 2 ), relative haemoglobin content (rHB) and relative blood flow (BF) were intra-operatively measured. Results: The results of this study show that the part of the abdominal fat typically resected during dermolipectomy has the lowest SO 2 before surgery. Furthermore, the results demonstrate that previously well oxygenated parts in the median line of the abdominal fat undergo a significant decrease in oxygen saturation upon mobilisation and subsequent suturing, while the caudal wound edges show an increase of micro-perfusion parameters. Conclusion: Data show that micro-perfusion is worst in the median line of the cranial wound edge and is significantly altered after mobilisation. In addition an intra-operative increase of micro-perfusion in the caudal part of the wound edge, especially in the mons pubis area, can be measured. Minimize

Year of Publication:

2014-04-25

Document Type:

article ; doc-type:article

Language:

eng

Subjects:

- ; ddc:610

- ; ddc:610 Minimize

Rights:

Creative Commons - Namensnennung-NichtKommerziell

Creative Commons - Namensnennung-NichtKommerziell Minimize

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Title:

Localization dynamics of fluids in random confinement

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The dynamics of two-dimensional fluids confined within a random matrix of obstacles is investigated using both colloidal model experiments and molecular dynamics simulations. By varying fluid and matrix area fractions in the experiment, we find delocalized tracer particle dynamics at small matrix area fractions and localized motion of the tracer...

The dynamics of two-dimensional fluids confined within a random matrix of obstacles is investigated using both colloidal model experiments and molecular dynamics simulations. By varying fluid and matrix area fractions in the experiment, we find delocalized tracer particle dynamics at small matrix area fractions and localized motion of the tracers at high matrix area fractions. In the delocalized region, the dynamics is subdiffusive at intermediate times, and diffusive at long times, while in the localized regime, trapping in finite pockets of the matrix is observed. These observations are found to agree with the simulation of an ideal gas confined in a weakly correlated matrix. Our results show that Lorentz gas systems with soft interactions are exhibiting a smoothening of the critical dynamics and consequently a rounded delocalization-to-localization transition. ; Comment: 5 pages, 3 figures Minimize

Year of Publication:

2013-02-12

Document Type:

text

Subjects:

Condensed Matter - Soft Condensed Matter

Condensed Matter - Soft Condensed Matter Minimize

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