Potential energy topology and relaxation processes in a model glass

We use computer simulation to investigate the topology of the potential energy $V(\{{\bf R}\})$ and to search for doublewell potential's (DWP) in a model glass . By a sequence of Newtonian and dissipative dynamics we find different minima of $V(\{{\bf R}\})$ and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWP's are correlated among each others. Moreover, the trajectory of the system in the 3$N$-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic, dynamics.Comment: 4 pages, RevTex, 4 PostScript figure

General features of the energy landscape in Lennard-Jones like model liquids

Features of the energy landscape sampled by supercooled liquids are numerically analyzed for several Lennard-Jones like model systems. The properties of quasisaddles (minima of the square gradient of potential energy W=|grad V|^2), are shown to have a direct relationship with the dynamical behavior, confirming that the quasisaddle order extrapolates to zero at the mode-coupling temperature T_MCT. The same result is obtained either analyzing all the minima of W or the saddles (absolute minima of W), supporting the conjectured similarity between quasisaddles and saddles, as far as the temperature dependence of the properties influencing the slow dynamics is concerned. We find evidence of universality in the shape of the landscape: plots for different systems superimpose into master curves, once energies and temperatures are scaled by T_MCT. This allows to establish a quantitative relationship between T_MCT and potential energy barriers for LJ-like systems, and suggests a possible generalization to different model liquids.Comment: 8 pages, 5 figure

Modelling of a standard gas mixtures generator with computational fluid dynamics

Monitoring VOC for climate change and for indoor and outdoor air quality at trace level concentrations need reference standard materials at high metrological performance. To improve this performance, the description of phenomena involved in mixtures generation by rigorous models is mandatory. A model to describe diffusion cells of a primary generator was developed and validated with experimental data. A good agreement was found between the uncertainties of measurements and calculations

Tetrahedrally bonded ternary amorphous semiconductor alloys

The properties of tetrahedrally bonded ternary amorphous semiconductors a-CSiSn:H and a-CSiGe:H are reviewed with particular emphasis on the temperature dependence of dark conductivity and the coordination in random networks. It is shown here that the dark conductivity as a function of the temperature strongly depends on the carbon content and, more precisely, on the proportion of sp3 and sp2 sites in the carbon. Ternary alloys with different carbon contents are compared to binary alloys using the average coordination number. The ternary alloys have an average coordination number close to the optimal value predicted for amorphous covalent networks

A model for the generic alpha relaxation of viscous liquids

Dielectric measurements on molecular liquids just above the glass transition indicate that alpha relaxation is characterized by a generic high-frequency loss varying as $\omega^{-1/2}$, whereas deviations from this come from one or more low-lying beta processes [Olsen et al, Phys. Rev. Lett. {\bf 86} (2001) 1271]. Assuming that long-wavelength fluctuations dominate the dynamics, a model for the dielectric alpha relaxation based on the simplest coupling between the density and dipole density fields is proposed here. The model, which is solved in second order perturbation theory in the Gaussian approximation, reproduces the generic features of alpha relaxation

ESPON TOWN spin-off Denmark. Small and medium sized towns in Denmark

This study “ESPON TOWN spin-off Denmark” provides supporting knowledge and evidence on the state and development of SMSTs in Denmark by using detailed datasets and by conducting an in-depth analysis of the local context . Based on a quantitative data-driven analysis, it describes the main characteristics of SMSTs in Denmark, how they differ from each other and what role various aspects including tourism and services play. Furthermore, it presents a short update of SMST research as well as a recap of recent Danish policies related to SMSTs. Finally, it provides perspectives on Denmark’s SMSTs within a European policy context

Invasive breast cancer in Argentine women: Association between risk and prognostic factors with antigens of a peptidic and carbohydrate nature

Objective: In breast cancer, several tumor markers have been identified. The marker most extensively associated with breast cancer is MUC1. The objective of the study was to analyze prognostic and risk factors in relation to tumor markers in order to clarify breast cancer biology. A total of 349 primary tumor samples and lymph nodes from breast cancer patients were studied. Risk and prognostic factors were considered. An immunohistochemical approach was applied and an extensive statistical analysis was performed, including frequency analysis and analysis of variance. Correlation among variables was performed with principal component analysis. Results: All the antigens showed an increased expression according to tumor size increment; moreover, sialyl Lewis x expression showed a significant increase in relation to disease stage, whereas Tn and TF presented a positive tendency. Vascular invasion was related to sialyl Lewis x expression and number of metastatic lymph nodes. Taking into account risk factors, when a patient had at least one child, Lewis antigens diminished their expression. In relation to breastfeeding, sialyl Lewis x expression diminished, although its apical expression increased. Conclusion: Associations between MUC1 and carbohydrate antigens and risk and prognostic factors show the complexity of the cellular biological behavior that these antigens modulate in breast cancer.Facultad de Ciencias Médica

Invasive breast cancer in Argentine women: Association between risk and prognostic factors with antigens of a peptidic and carbohydrate nature

Objective: In breast cancer, several tumor markers have been identified. The marker most extensively associated with breast cancer is MUC1. The objective of the study was to analyze prognostic and risk factors in relation to tumor markers in order to clarify breast cancer biology. A total of 349 primary tumor samples and lymph nodes from breast cancer patients were studied. Risk and prognostic factors were considered. An immunohistochemical approach was applied and an extensive statistical analysis was performed, including frequency analysis and analysis of variance. Correlation among variables was performed with principal component analysis. Results: All the antigens showed an increased expression according to tumor size increment; moreover, sialyl Lewis x expression showed a significant increase in relation to disease stage, whereas Tn and TF presented a positive tendency. Vascular invasion was related to sialyl Lewis x expression and number of metastatic lymph nodes. Taking into account risk factors, when a patient had at least one child, Lewis antigens diminished their expression. In relation to breastfeeding, sialyl Lewis x expression diminished, although its apical expression increased. Conclusion: Associations between MUC1 and carbohydrate antigens and risk and prognostic factors show the complexity of the cellular biological behavior that these antigens modulate in breast cancer.Facultad de Ciencias Médica