145 research outputs found

    From coupled elementary units to the complexity of the glass transition

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    Supercooled liquids display fascinating properties upon cooling such as the emergence of dynamic length scales. Different models strongly vary with respect to the choice of the elementary subsystems (CRR) as well as their mutual coupling. Here we show via computer simulations of a glass former that both ingredients can be identified via analysis of finite-size effects within the continuous-time random walk framework. The CRR already contain complete information about thermodynamics and diffusivity whereas the coupling determines structural relaxation and the emergence of dynamic length scales

    Aging effects manifested in the potential energy landscape of a model glass former

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    We present molecular dynamics simulations of a model glass-forming liquid (the binary Kob-Anderson Lennard-Jones model) and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of performing a temperature jump from a high temperature to a low destination temperature, we consider the temporal evolution of the distributions after an 'up-jump', i.e. from a low to a high temperature. In this case the distribution of megabasin energies exhibits a transient two-peak structure. Our results can qualitatively be rationalized in terms of a trap model with a Gaussian distribution of trap energies. The analysis is performed for different system sizes. A detailed comparison with the trap model is possible only for a small system because of major averging effects for larger systems.Comment: 16 pages, 14 figure

    Ac transport studies in polymers by a resistor network and transfer matrix approaches: application to polyaniline

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    A statistical model of resistor network is proposed to describe a polymer structure and to simulate the real and imaginary components of its ac resistivity. It takes into account the polydispersiveness of the material as well as intrachain and interchain charge transport processes. By the application of a transfer matrix technique, it reproduces ac resistivity measurements carried out with polyaniline films in different doping degrees and at different temperatures. Our results indicate that interchain processes govern the resistivity behavior in the low frequency region while, for higher frequencies, intrachain mechanisms are dominant.Comment: LaTeX file, 15 pages, 5 ps figures, to appear in Phys. Rev.

    Defect-induced condensation and central peak at elastic phase transitions

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    Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for three--dimensional crystals with one--, two-- or three--dimensional soft sectors, respectively. Systems with a finite concentration nDn_{\rm D} of quenched, randomly placed defects display a phase transition at a temperature Tc(nD)T_c(n_{\rm D}), which can be considerably above the transition temperature Tc0T_c^0 of the pure system. The phonon correlation function is calculated in single--site approximation. For T>Tc(nD)T>T_c(n_{\rm D}) a dynamical central peak appears; upon approaching Tc(nD)T_c(n_{\rm D}), its height diverges and its width vanishes. Using an appropriate self--consistent method, we calculate the spatially inhomogeneous order parameter, the free energy and the specific heat, as well as the dynamical correlation function in the ordered phase. The dynamical central peak disappears again as the temperatur is lowered below Tc(nD)T_c(n_{\rm D}). The inhomogeneous order parameter causes a static central peak in the scattering cross section, with a finite kk width depending on the orientation of the external wave vector k{\bf k} relative to the soft sector. The jump in the specific heat at the transition temperatur of the pure system is smeared out by the influence of the defects, leading to a distinct maximum instead. In addition, there emerges a tiny discontinuity of the specific heat at Tc(nD)T_c(n_{\rm D}). We also discuss the range of validity of the mean--field approach, and provide a more realistic estimate for the transition temperature.Comment: 11 pages, 11 ps-figures, to appear in PR

    Combined magnetic resonance coronary artery imaging, myocardial perfusion and late gadolinium enhancement in patients with suspected coronary artery disease

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    <p>Abstract</p> <p>Background</p> <p>Cardiovascular Magnetic Resonance (CMR) imaging offers methods for the detection of ischemia and myocardial infarction as well as visualization of the coronary arteries (MRCA). However, a direct comparison of adenosine perfusion (PERF), late gadolinium enhancement (LGE) and MRCA or the results of their combination has not been performed. Aim of the study was to evaluate the feasibility/diagnostic performance of rest/stress perfusion, late gadolinium enhancement and MRCA and their combination in patients with suspected coronary artery disease (CAD) in comparison to invasive angiography.</p> <p>Methods</p> <p>Fifty-four patients (60 ± 10 years, 35 men, CAD 48%) underwent CMR including MRCA (steady state free precession, navigator whole heart approach, spatial resolution 0.7 × 0.7 × .0.9 mm, trigger delay and temporal resolution adjusted individually), stress PERF (adenosine 140 μg/min/kg), rest PERF (SSFP, 3 short axis, 1 saturation prepulse per slice) and LGE (3D inversion recovery technique) using Gd-BOPTA. Images were analyzed visually. Stenosis >50% in invasive angiography was considered significant.</p> <p>Results</p> <p>Mean study time was 68 ± 11 minutes. Sensitivity for PERF, LGE, MRCA and the combination of PERF/LGE and PERF/LGE/MRCA was 87%, 50%, 91%, 88% and 92%, respectively and specificity 88%, 96%, 46%, 88% and 56%, respectively. If image quality of MRCA was excellent (n = 18) the combination of MRCA/PERF/LGE yield a sensitivity of 86% and specificity of 91%. However, no test or combination improved diagnostic performance significantly compared to PERF alone.</p> <p>Conclusion</p> <p>In patients with CAD, the combination of stress PERF, LGE and MRCA is feasible. When compared to invasive angiography, adenosine stress perfusion outperforms CMR coronary angiography in direct comparison and yields the best results with non-significant improvement in combination with LGE and significant deterioration in combination with MRCA. MRCA may be of additional value only in a minority of patients with excellent image quality.</p
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