958 research outputs found
First principles based atomistic modeling of phase stability in PMN-xPT
We have performed molecular dynamics simulations using a shell model
potential developed by fitting first principles results to describe the
behavior of the relaxor-ferroelectric (1-x)PbMg1/3Nb2/3O3-xPbTiO3 (PMN-xPT) as
function of concentration and temperature, using site occupancies within the
random site model. In our simulations, PMN is cubic at all temperatures and
behaves as a polar glass. As a small amount of Ti is added, a weak polar state
develops, but structural disorder dominates, and the symmetry is rhombohedral.
As more Ti is added the ground state is clearly polar and the system is
ferroelectric, but with easy rotation of the polarization direction. In the
high Ti content region, the solid solution adopts ferroelectric behavior
similar to PT, with tetragonal symmetry. The ground state sequence with
increasing Ti content is R-MB-O-MC-T. The high temperature phase is cubic at
all compositions. Our simulations give the slope of the morphotropic phase
boundaries, crucial for high temperature applications. We find that the phase
diagram PMN-xPT can be understood within the random site model.Comment: 27 pages, 9 figure
I Didn\u27t Know How All This Works : A Case Study Examining The Transition Experiences of Student-Athletes from High School to a Mid-Major DI Program
The transition period from high school to college includes a myriad of issues specific to student-athletes (Bernhard & Bell, 2015; Bjornsen & Dinkel, 2017; Comeaux, 2015). The present study sought to illuminate the specific transition issues faced by mid-major, DI student-athletes by providing them the platform to describe them in their own words, and provide their own recommendations for improvement. Utilizing a semi-structured interview guide which addressed transition issues, the qualitative study included 23 student-athletes in focus group settings. Analysis of interview data led to the emergence of two themes, with accompanying subthemes: 1) Encounters with academic support, with subthemes of transitioning to campus and perceived responsibilities of athletic academic advisors; and 2) Skewed perceptions and expectations of student-athlete life, with subthemes of expectations regarding the coach-athlete relationship, lifestyle modifications, and high stress practice environments. The findings suggest a notable trend â student-athletes lack the support they need to successfully deal with the transition. The transition process itself also appears to involve three specific periods: 1) Prior to arrival on campus; 2) Initial arrival on campus; and 3) Following the initial transition to campus. The findings will help to better design standards for helping student-athletes navigate the transition process
Computer memories: the history of computer form
This paper looks at the computer as a truly global form. The similar beige boxes found in offices across the world are analysed from the perspective of design history rather than that of the history of science and technology. Through the exploration of an archive of computer manufacturer's catalogues and concurrent design texts, this paper examines the changes that have occurred in the production and consumption of the computer in the context of the workplace, from its inception as a room-sized mainframe operated through a console of flashing lights, to the personal computer as a 'universal' form, reproduced by many manufacturers. It shows how the computer in the past has been as diverse as any other product, and asks how and why it now appears as a standardised, sanitised object. In doing so our relationship with the office computer, past and present is explored, revealing a complex history of vicissitude.</p
Embedded-Cluster Calculations in a Numeric Atomic Orbital Density-Functional Theory Framework
We integrate the all-electron electronic structure code FHI-aims into the
general ChemShell package for solid-state embedding (QM/MM) calculations. A
major undertaking in this integration is the implementation of pseudopotential
functionality into FHI-aims to describe cations at the QM/MM boundary through
effective core potentials and therewith prevent spurious overpolarization of
the electronic density. Based on numeric atomic orbital basis sets, FHI-aims
offers particularly efficient access to exact exchange and second order
perturbation theory, rendering the established QM/MM setup an ideal tool for
hybrid and double-hybrid level DFT calculations of solid systems. We illustrate
this capability by calculating the reduction potential of Fe in the
Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for
(photo-)catalytic water oxidation at TiO2(110).Comment: 12 pages, 4 figure
Stable isotope values in modern bryozoan carbonate from New Zealand and implications for paleoenvironmental interpretation
Bryozoan carbonate contains useful geochemical evidence of temperate shelf paleoenvironments. Stable isotope values were determined for 103 modern marine bryozoan skeletons representing 30 species from New Zealand. ÎŽ18O values range from -1.4 to 2.8 VPDB, while ÎŽ13C range from -4.5 to 2.8 VPDB (values uncorrected for mineralogical variation). These values are distinct from those of both tropical marine skeletons and New Zealand Tertiary fossils. Most bryozoans secrete carbonate in or near isotopic equilibrium with sea water, except for Celleporina and Steginoporella. The complex and variable mineralogies of the bryozoans reported here make correction for mineralogical effects problematic. Nevertheless, mainly aragonitic forms display higher isotope values, as anticipated. Both temperature and salinity constrain ÎŽ18O and ÎŽ13C values, and vary with latitude and water depth. Ten samples from a single branch of Cinctipora elegans from the Otago shelf cover a narrow range, although the striking difference in carbon isotope values between the endozone and exozone probably reflects different mineralisation histories. Our stable isotope results from three different laboratories on a single population from a single location are encouragingly consistent. Monomineralic bryozoans, when carefully chosen to avoid species suspected of vital fractionation, have considerable potential as geochemical paleoenvironmental indicators, particularly in temperate marine environments where bryozoans are dominant sediment producers
Electroconvulsive therapy added to non-clozapine antipsychotic medication for treatment resistant schizophrenia: Meta-analysis of randomized controlled trials
This meta-analysis of randomized controlled trials (RCTs) examined the efficacy and safety of the combination of electroconvulsive therapy (ECT) and antipsychotic medication (except for clozapine) versus the same antipsychotic monotherapy for treatment-resistant schizophrenia (TRS). Two independent investigators extracted data for a random effects meta-analysis and pre-specified subgroup and meta-regression analyses. Weighted and standard mean difference (WMD/SMD), risk ratio (RR) ±95% confidence intervals (CIs), number needed to treat (NNT), and number needed to harm (NNH) were calculated. Eleven studies (n = 818, duration = 10.2±5.5 weeks) were identified for meta-analysis. Adjunctive ECT was superior to antipsychotic monotherapy regarding (1) symptomatic improvement at last-observation endpoint with an SMD of -0.67 (
Mixed income housing (MIH)
Mixed Income Housing (MIH) is the outcome of a deliberate effort to build a mixed-income development, usually including a variety of housing typologies, sometime combined with the goal of creating a mixed-tenure development. International consensus on a more specific definition of MIH does not exist; instead, multiple expressions can be equally used, with similar meaning. The expression MIH is mainly used within the USA context where it is sometime replaced by mixed-income neighborhood. In Europe, MIH tend to fall within initiatives on (sustainable) urban regeneration, neighborhood restructuring, urban renewal, while the UK legislation often refers to âpepper-pottingâ with respect to different tenures in the same neighborhood aimed to achieve MIH. Non-English-speaking countries tend to use different terms.
The MIH policies are challenged by a specific connotation, i.e., in the United States it is the combination between urban poverty and black or Latinos ghettoes; hence, spatial segregation is combined with racial considerations which are less present in other countries, except for South Africa. In the USA, desegregation in public housing estates became a legal obligation following the famous 1969 Gautreaux case, because of the application of the 1964 Civil Rights Act prohibiting racial discrimination in federally funded activities
AMSA Conference Indigenous Workshop Summary
This report summarises a two-day Indigenous Workshop at the 2022 Australian Marine Sciences Association Conference. The workshop was the seventh to be supported by the National Environmental Science Program and the most significant to date in terms of Indigenous leadership and attendance. Indigenous participants from 45 language groups joined others from government, research and non-profit agencies.
Indigenous organisations expressed a clear desire to work with government and research agencies to enable effective co-development of research, and to establish a nationally coordinated approach to Indigenous-led research and monitoring.
The two-day Indigenous workshop brought together Indigenous leaders and community members from across the nation. This was a rare occasion for Indigenous Australians to come together and provide input into two important focal areas.
1. Collaborate and strategise on the research priorities, opportunities and constraints for Indigenous participation and leadership in environmental research in Australiaâs
marine and coastal regions.
2. Discuss the need for a National Indigenous Environmental Research Network
(NIERN)
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