qq-independent slow-dynamics in atomic and molecular systems

Investigating million-atom systems for very long simulation times, we demonstrate that the collective density-density correlation time ($\tau_{\alpha}$) in simulated supercooled water and silica becomes wavevector independent ($q^0$) when the probing wavelength is several times larger than the interparticle distance. The $q$-independence of the collective density-density correlation functions, a feature clearly observed in light-scattering studies of some soft-matter systems, is thus a genuine feature of many (but not all) slow-dynamics systems, either atomic, molecular or colloidal. Indeed, we show that when the dynamics of the density fluctuations is due to particle-type diffusion, as in the case of the Lennard Jones binary mixture model, the $q^0$ regime does not set in and the relaxation time continues to scale as $\tau_{\alpha} \sim q^{-2}$ even at small $q$.Comment: Includes the supplementary materia

Paleoecology of Late Cretaceous methane cold-seeps of the Pierre Shale, South Dakota

Most investigations of ancient methane seeps focus on either the geologic or paleontological aspects of these extreme environments. In contrast, this thesis encompasses both disciplines to evaluate the paleoecology of these systems with greater detail than previously published either within the Western Interior Basin or elsewhere. This thesis addresses the following questions: 1) Are the changes in mineralogy of a seep discernable and predictable as a seep shifts from a clay-based environment to a carbonate-based environment? 2) What are the foundation organism(s) of Late Cretaceous methane cold-seeps? 3) Is there a correlation to the mineralogic changes and shifts in community structure? 4) What is the mediating factor of these shifts? and 5) Are there any spatial trends in seep formation and persistence? To help resolve these queries, seep cement material and fossils were collected from 25 locations from the Baculites scotti - Didymoceras nebrascense, Didymoceras cheyennense, and Baculites compressus zones spanning ~2 million years in the Campanian of the Pierre Shale in South Dakota. The mineralogy of cements was determined through microprobe and electron dispersive spectroscopy. These data was spatially analyzed and suggest that there is a potential shift in mineralogy due to relative fluid flow rates over space and time: Baculites scotti - Didymoceras nebrascense Zone was of consistent moderate flow rates, Didymoceras cheyennense Zone was dominated by low fluid flow rates, and Baculites compressus Zone contained an unusually large number of high fluid flow seep assemblages compared to other biostratigraphic zones. Over 8000 individual organisms were counted and identified to the genus or species level (where possible) and these data were then processed with a series of diversity indices. A faunal pattern was found and shows that the foundation organisms, baculites, inoceramids, and lucinids, always dominate these seep assemblages, unlike the foundation organisms in modern methane cold-seep analogs. These fossil data were then paired up with each location\u27s mineral data and a correlation was found between shifts in mineralogy and basic seep structure (general flow rate) and shifts in faunal compositions. Furthermore, specific fauna patterns and flow rates may indicate changes in oxygen or food availability. However, Akaike modeling techniques implemented found that the shifts in community composition within the cold-seeps of the Pierre Shale of South Dakota are most likely a reflection of sulfur availability according to the data

Playing and Reflecting Games: The Production of Gamified Learning Artefacts in Teacher Education

At the University, students played and reflected on different games within a digital course conducted by the teaching study program. In one session students chose and played different games. Guided by questions, they discussed and reflected in groups the potential of games for their own future teaching. Their new found experience was critical for the production of a gamified learning artefact in moodle. The self-evaluation showed that the participants were able to utilize their new set of skills and develop, implement and improve a learning artefact over a self-chosen topic. The following paper describes the didactical approach. We share the results of the students perspectives and learning outcomes towards game based dialogue. Students consider gamification and games as useful for different aspects of teaching

Size dependence of dynamic fluctuations in liquid and supercooled water

We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.Fil: Montes de Oca, Joan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Accordino, Sebastián R.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Appignanesi, Gustavo Adrian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Handle, Philip H.. Universidad de Innsbruck; AustriaFil: Sciortino, Francesco. Università degli studi di Roma "La Sapienza"; Itali

Glass Polymorphism in TIP4P/2005 Water: A Description Based on the Potential Energy Landscape Formalism

The potential energy landscape (PEL) formalism is a statistical mechanical approach to describe supercooled liquids and glasses. Here we use the PEL formalism to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) using computer simulations of the TIP4P/2005 molecular model of water. We find that the properties of the PEL sampled by the system during the LDA-HDA transformation exhibit anomalous behavior. In particular, at conditions where the change in density during the LDA-HDA transformation is approximately discontinuous, reminiscent of a first-order phase transition, we find that (i) the inherent structure (IS) energy, $e_\text{IS}(V)$, is a concave function of the volume, and (ii) the IS pressure, $P_\text{IS}(V)$, exhibits a van der Waals-like loop. In addition, the curvature of the PEL at the IS is anomalous, a non-monotonic function of $V$. In agreement with previous studies, our work suggests that conditions (i) and (ii) are necessary (but not sufficient) signatures of the PEL for the LDA-HDA transformation to be reminiscent of a first-order phase transition. We also find that one can identify two different regions of the PEL, one associated to LDA and another to HDA. Our computer simulations are performed using a wide range of compression/decompression and cooling rates. In particular, our slowest cooling rate (0.01 K/ns) is within the experimental rates employed in hyperquenching experiments to produce LDA. Interestingly, the LDA-HDA transformation pressure that we obtain at $T=80$ K and at different rates extrapolates remarkably well to the corresponding experimental pressure.Comment: Manuscript and Supplementary Materia

Rethinking Hybrid Teaching: The Hybrid Rhombus Model as an Approach to Understanding Hybrid Settings

[EN] After extended periods of remote-only teaching at university, lecturers tried to come back to lecture halls. Due to restrictions not all students could participate on-site. Therefore, hybrid teaching models proliferated. To reflect the transformative effects on teaching practice, we conducted focus groups with lecturers and found that didactic models aimed at capturing dynamics of the in-situ learning experience do not provide sufficient understanding of the bifurcated nature of hybrid teaching. The hybrid rhombus model is an approach to conceptual understanding of the newly developed situation of teaching in a hybrid way. This paper gives a brief description of the model description and the empirical background, to contribute to the debate of hybrid teaching in relation to digital or on-site teaching.Handle-Pfeiffer, D.; Winter, C.; Löw, C.; Hackl, C. (2022). Rethinking Hybrid Teaching: The Hybrid Rhombus Model as an Approach to Understanding Hybrid Settings. En 8th International Conference on Higher Education Advances (HEAd'22). Editorial Universitat Politècnica de València. 1367-1375. https://doi.org/10.4995/HEAd22.2022.146021367137

La utilización de las TICS como herramienta de innovación docente. Los simuladores virtuales aplicados a la formación en atención al cliente en respuesta a su identidad cultural

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