First-Principles Exploration of the Structural Motifs of Chalcogenides and Their Relationship to Electronic and Photovoltaic Properties

The bulk photovoltaic effect (BPVE) refers to the production of electric currents from the valence band promotion of electrons to the conduction band in a pure, undoped, and insulating material from the absorption of electromagnetic radiation. For a material to be able to create a current in response to non-polarized solar irradiation, it must be a polar compound with a band gap in the visible spectrum, 1.1 - 3.1 eV. The purpose of this work is to provide computational evidence that the pursuit of materials other than pure oxides for use as bulk photovoltaic materials is worthy. To convince the scientific community that compounds containing isoelectronic elements of O, the chalcogens S and Se, should be synthesized and, as importantly, are capable of being synthesized, three distinct subject areas will be presented. The first demonstrates that it is possible to alloy sulfur with an oxide perovskite, lead titanate (PTO), to create thermodynamically stable polar oxysulfides with band gaps in the visible spectrum. In the second, it will be shown that non-oxide non-perovskite materials can generate BPVE responses larger by an order of magnitude over the oxide perovskites listed in the literature to date. The third area does not address solar energy use directly. Instead, it alerts the scientist that creating ABS3 compounds by using temperature and time profiles used to synthesize ABO3 compounds has probably led to an incomplete characterization of these sulfides. As such, it provides first-principles based evidence that synthesis experimentation involving chalcogens does not and should not simply mirror that of pure oxide synthesis. The scientific community\u27s knowledge of chalcogenides is far from complete, opening up exciting possibilities for new material discoveries

Planning when to say: Dissociating cue use in utterance initiation using cross-validation

In conversation, turns follow each other with minimal gaps. To achieve this, speakers must launch their utterances shortly before the predicted end of the partner’s turn. We examined the relative importance of cues to partner utterance content and partner utterance length for launching coordinated speech. In three experiments, Dutch adult participants had to produce prepared utterances (e.g., vier, “four”) immediately after a recording of a confederate’s utterance (zeven, “seven”). To assess the role of corepresenting content versus attending to speech cues in launching coordinated utterances, we varied whether the participant could see the stimulus being named by the confederate, the confederate prompt’s length, and whether within a block of trials, the confederate prompt’s length was predictable. We measured how these factors affected the gap between turns and the participants’ allocation of visual attention while preparing to speak. Using a machine-learning technique, model selection by k-fold cross-validation, we found that gaps were most strongly predicted by cues from the confederate speech signal, though some benefit was also conferred by seeing the confederate’s stimulus. This shows that, at least in a simple laboratory task, speakers rely more on cues in the partner’s speech than corepresentation of their utterance content

Small mammal personalities generate context dependence in the seed dispersal mutualism

SignificanceMutualisms are foundational components of ecosystems and give rise to essential services such as seed dispersal and pollination. Ecologists believe that nearly every species is involved in one or more mutualisms, but it is unknown how consistent behavioral differences among individuals, or personalities, may influence an individual's role. We scored individuals on a continuum from antagonistic to mutualistic given their contributions to the seed dispersal mutualism and found that personalities affect the extent to which individuals are mutualistic. These findings suggest a novel mechanism generating context dependence in mutualisms and underscore the need to incorporate behavioral diversity into conservation and restoration efforts

Land-use change alters associations between personality and microhabitat selection

Ecologists commonly assess ecological patterns at the population level, focusing on the average response of all individuals within a population, but to predict how populations will respond to land-use change we must understand how changes to habitat differentially affect individuals within a population. For example, forest management is a widespread type of land-use that impacts wildlife through the loss of key habitat features, but individuals within a population may vary in their responses to this loss due to differences in habitat selection among individuals. Specifically, intraspecific variation in habitat selection has been linked to animal personalities (i.e., consistent behavioral differences among conspecifics), but previous research has not examined whether the relationship between personality and habitat selection is influenced by land-use change. To address this knowledge gap, we tested the hypothesis that land-use change alters the association between personality and microhabitat selection in small mammals. Specifically, we investigated two main questions: (1) To what extent are personality type and microhabitat selection correlated among conspecifics? (2) Does land-use change alter individual patterns of microhabitat selection? To answer these questions, we conducted a large-scale field experiment over 4 years, contrasting unmanaged forest (control) with managed forest (two silvicultural treatments) in Maine, USA. We examined the relationships between habitat selection and personality traits in deer mice (Peromyscus maniculatus) and southern red-backed voles (Myodes gapperi). We found that personality traits were correlated with microhabitat selection at multiple spatial scales. Furthermore, land-use change altered these patterns of selection; resulting in either the loss of personality-associated selection or in novel patterns of selection in managed forests. These findings suggest that promoting structural complexity at multiple spatial scales, such as by interspersing stands of mature forest with managed stands, may maintain a variety of intraspecific habitat selection patterns and the associated ecological outcomes

Substantial optical dielectric enhancement by volume compression in LiAsSe2_2

Based on first-principles calculations, we predict a substantial increase in the optical dielectric function of LiAsSe$_2$ under pressure. We find that the optical dielectric constant is enhanced threefold under volume compression. This enhancement is mainly due to the dimerization strength reduction of the one-dimensional (1D) As--Se chains in LiAsSe$_2$, which significantly alters the wavefunction phase mismatch between two neighboring chains and changes the transition intensity. By developing a tight-binding model of the interacting 1D chains, the essential features of the low-energy electronic structure of LiAsSe$_2$ are captured. Our findings are important for understanding the fundamental physics of LiAsSe$_2$ and provide a feasible way to enhance the material optical response that can be applied to light harvesting for energy applications.Comment: 13 pages, 6 figure

Innovations, challenges, and minimal information for standardization of humanized mice

Mice xenotransplanted with human cells and/or expressing human gene products (also known as humanized mice ) recapitulate the human evolutionary specialization and diversity of genotypic and phenotypic traits. These models can provide a relevant in vivo context for understanding of human-specific physiology and pathologies. Humanized mice have advanced toward mainstream preclinical models and are now at the forefront of biomedical research. Here, we considered innovations and challenges regarding the reconstitution of human immunity and human tissues, modeling of human infections and cancer, and the use of humanized mice for testing drugs or regenerative therapy products. As the number of publications exploring different facets of humanized mouse models has steadily increased in past years, it is becoming evident that standardized reporting is needed in the field. Therefore, an international community-driven resource called Minimal Information for Standardization of Humanized Mice (MISHUM) has been created for the purpose of enhancing rigor and reproducibility of studies in the field. Within MISHUM, we propose comprehensive guidelines for reporting critical information generated using humanized mice

Evolution of the obscura group Drosophila species.: III. phylogenetic relationships in the subobscura cluster based on homologies of chromosome A

The Drosophila subobscura cluster comprises D. subobscura, D. madeirensis and D. guanche, species closely related to some interspecific crosses are possible. This paper clarifies definitively the homologies of the segments of the sex chromosome A (= X) among these species and thus permits a phylogenetic seriation of them. This seriation is identical to the one suggested by the study of chromosome O and concordant with similar data for the remaining three rod autosomes (J, U and E), which, however, do not provide qualitative evidence on this subject.info:eu-repo/semantics/publishedVersio

Manned maneuvering unit applications for automated rendezvous and capture

Automated Rendezvous and Capture (AR&C) is an important technology to multiple National Aeronautics and Space Administration (NASA) programs and centers. The recent Johnson Spacecraft Center (JSC) AR&C Quality Function Deployment (QFD) has listed on-orbit demonstration of related technologies as a near term priority. Martin Marietta has been evaluating use of the Manned Maneuvering Unit (MMU) for a low cost near term on-orbit demonstration of AR&C technologies such as control algorithms, sensors, and processors as well as system level performance. The MMU Program began in 1979 as the method of repairing the Space Shuttle (STS) Thermal Protection System (the tiles). The units were not needed for this task, but were successfully employed during three Shuttle flights in 1984: a test flight was flown in in February as proof of concept, in April the MMU participated in the Solar Max Repair Mission, and in November the MMU's returned to space to successfully rescue the two errant satellites, Westar and Palapa. In the intervening years, the MMU simulator and MMU Qualification Test Unit (QTU) have been used for Astronaut training and experimental evaluations. The Extra-Vehicular Activities (EVA) Retriever has used the QTU, in an unmanned form, as a free-flyer on the Johnson Space Center (JSC) Precision Air Bearing Floor (PABF). Currently, the MMU is undergoing recertification for flight. The two flight units were removed from storage in September, 1991 and evaluation tests were performed. The tests demonstrated that the units are in good shape with no discrepancies that would preclude further use. The Return to Flight effort is currently clearing up recertification issues and evaluating the design against the present Shuttle environments