115 research outputs found
Effective calculation of LEED intensities using symmetry-adapted functions
The calculation of LEED intensities in a spherical-wave representation can be substantially simplified by symmetry relations. The wave field around each atom is expanded in symmetry-adapted functions where the local point symmetry of the atomic site applies. For overlayer systems with more than one atom per unit cell symmetry-adapted functions can be used when the division of the crystal into monoatomic subplanes is replaced by division into subplanes containing all symmetrically equivalent atomic positions
Role of renal sympathetic nerve activity in volatile anesthesia's effect on renal excretory function
Regulation of fluid balance is pivotal during surgery and anesthesia and affects patient morbidity, mortality, and hospital length of stay. Retention of sodium and water is known to occur during surgery but the mechanisms are poorly defined. In this study, we explore how the volatile anesthetic sevoflurane influences renal function by affecting renal sympathetic nerve activity (RSNA). Our results demonstrate that sevoflurane induces renal sodium and water retention during pediatric anesthesia in association with elevated plasma concentration of renin but not arginineâvasopressin. The mechanisms are further explored in conscious and anesthetized ewes where we show that RSNA is increased by sevoflurane compared with when conscious. This is accompanied by renal sodium and water retention and decreased renal blood flow (RBF). Finally, we demonstrate that renal denervation normalizes renal excretory function and improves RBF during sevoflurane anesthesia in sheep. Taken together, this study describes a novel role of the renal sympathetic nerves in regulating renal function and blood flow during sevoflurane anesthesia
Steam reforming on transition-metal carbides from density-functional theory
A screening study of the steam reforming reaction (CH_4 + H_2O -> CO + 3H_2)
on early transition-metal carbides (TMC's) is performed by means of
density-functional theory calculations. The set of considered surfaces includes
the alpha-Mo_2C(100) surfaces, the low-index (111) and (100) surfaces of TiC,
VC, and delta-MoC, and the oxygenated alpha-Mo_2C(100) and TMC(111) surfaces.
It is found that carbides provide a wide spectrum of reactivities towards the
steam reforming reaction, from too reactive via suitable to too inert. The
reactivity is discussed in terms of the electronic structure of the clean
surfaces. Two surfaces, the delta-MoC(100) and the oxygen passivated
alpha-Mo_2C(100) surfaces, are identified as promising steam reforming
catalysts. These findings suggest that carbides provide a playground for
reactivity tuning, comparable to the one for pure metals.Comment: 6 pages, 4 figure
Dynamic image potential at an Al(111) surface
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V-im not present in any local-density approximation for exchange and correlation. We solve the energy-dependent quasiparticle equations and calculate the effective local potential experienced by electrons in the near-surface region. The relative contribution of exchange proves to be very different for states above the Fermi level. The image-plane position for interacting electrons is closer to the surface than for the purely electrostatic effects felt by test charges, and, like its classical counterpart, is drawn inwards by the effects of atomic structure
Bias-voltage dependence of the magneto-resistance in ballistic vacuum tunneling: Theory and application to planar Co(0001) junctions
Motivated by first-principles results for jellium and by surface-barrier
shapes that are typically used in electron spectroscopies, the bias voltage in
ballistic vacuum tunneling is treated in a heuristic manner. The presented
approach leads in particular to a parameterization of the tunnel-barrier shape,
while retaining a first-principles description of the electrodes. The proposed
tunnel barriers are applied to Co(0001) planar tunnel junctions. Besides
discussing main aspects of the present scheme, we focus in particular on the
absence of the zero-bias anomaly in vacuum tunneling.Comment: 19 pages with 8 figure
Science and society in education
This booklet is for teachers who want to expand their
teaching approaches to include socio-scientific issues
which enrich and give meaning to core scientific principles.
It is meant to enhance young peopleâs curiosity about the
social and scientific world and raise important questions
about issues which affect their lives. We call this approach
Socio-Scientific Inquiry-Based Learning, or âSSIBLâ for
short. Chapters 1 and 2 present an introduction to the
theoretical background of SSIBL. In chapter 3, SSIBL will
be approached from a classroom perspective, providing a
simplified version of the framework and showing teaching
examples
Re-framing the climate change debate in the livestock sector: mitigation and adaptation options
Livestock play a key role in the climate change debate. As with crop-based agriculture, the sector is both a net greenhouse gas emitter and vulnerable to climate change. At the same time, it is an essential food source for millions of people worldwide, with other functions apart from food security such as savings and insurance. By comparison with crop-based agriculture, the interactions of livestock and climate change have been much less studied. The debate around livestock is confusing due to the coexistence of multiple livestock farming systems with differing functions for humans, greenhouse gas (GHG) emission profiles and different characteristics and boundary issues in their measurement, which are often pooled together. Consequently, the diversity of livestock farming systems and their functions to human systems are poorly represented and the role of the livestock sector in the climate change debate has not been adequately addressed. In this article, building upon the Intergovernmental Panel on Climate Change Fifth Assessment Report (IPCC 5AR) findings, we review recent literature on livestock and climate change so as better to include this diversity in the adaptation and mitigation debate around livestock systems. For comparative purposes we use the same categories of managerial, technical, behavioral and policy-related action to organize both mitigation and adaptation options. We conclude that different livestock systems provide different functions to different human systems and require different strategies, so they cannot readily be pooled together. We also observe that, for the different livestock systems, several win-win strategies exist that effectively tackle both mitigation and adaptation options as well as food security
International collaborative follow - up investigation of graduating high school studentsâ understandings of the nature of scientific inquiry: is progress Being made?
Understandings of the nature of scientific inquiry (NOSI), as opposed to engaging students in inquiry learning experiences, are included in science education reform documents around the world. However, little is known about what students have learned about NOSI during their pre-college school years. The purpose of this large-scale follow-up international project (i.e. 32 countries and regions, spanning six continents and including 3917 students for the high school sample) was to collect data on what exiting high school students have learned about NOSI. Additionally, the study investigated changes in 12th grade studentsâ NOSI understandings compared to seventh grade (i.e. 20 countries and regions) studentsâ understandings from a prior investigation [Lederman et al. (2019). An international collaborative investigation of beginning seventh grade studentsâ understandings of scientific inquiry: Establishing a baseline. Journal of Research in Science Teaching, 56(4), 486â515. https://doi.org/10.1002/tea.21512]. This study documents and discusses graduating high school studentsâ understandings and compares their understandings to seventh grade studentsâ understandings of the same aspects of scientific inquiry for each country. It is important to note that collecting data from each of the 130+ countries globally was not feasible. Similarly, it was not possible to collect data from every region of each country. A concerted effort was made, however, to provide a relatively representative picture of each country and the world
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