Landau Collision Integral Solver with Adaptive Mesh Refinement on Emerging Architectures

The Landau collision integral is an accurate model for the small-angle dominated Coulomb collisions in fusion plasmas. We investigate a high order accurate, fully conservative, finite element discretization of the nonlinear multi-species Landau integral with adaptive mesh refinement using the PETSc library (www.mcs.anl.gov/petsc). We develop algorithms and techniques to efficiently utilize emerging architectures with an approach that minimizes memory usage and movement and is suitable for vector processing. The Landau collision integral is vectorized with Intel AVX-512 intrinsics and the solver sustains as much as 22% of the theoretical peak flop rate of the Second Generation Intel Xeon Phi, Knights Landing, processor

Nomenclature of the hydrotalcite supergroup: Natural layered double hydroxides

Layered double hydroxide (LDH) compounds are characterized by structures in which layers with a brucite-like structure carry a net positive charge, usually due to the partial substitution of trivalent octahedrally coordinated cations for divalent cations, giving a general layer formula [( M 2+ 1-x M 3+ x )(OH)2] x +. This positive charge is balanced by anions which are intercalated between the layers. Intercalated molecular water typically provides hydrogen bonding between the brucite layers. In addition to synthetic compounds, some of which have significant industrial applications, more than 40 mineral species conform to this description. Hydrotalcite, Mg6Al2(OH) 16[CO3]•4H2O, as the longest-known example, is the archetype of this supergroup of minerals. We review the history, chemistry, crystal structure, polytypic variation and status of all hydrotalcite-supergroup species reported to date. The dominant divalent cations, M 2+, that have been reported in hydrotalcite supergroup minerals are Mg, Ca, Mn, Fe, Ni, Cu and Zn; the dominant trivalent cations, M 3+, are Al, Mn, Fe, Co and Ni. The most common intercalated anions are (CO3)2-, (SO4)2- and Cl -; and OH-, S2- and [Sb(OH)6] - have also been reported. Some species contain intercalated cationic or neutral complexes such as [Na(H2O)6]+ or [MgSO4]0. We define eight groups within the supergroup on the basis of a combination of criteria. These are (1) the hydrotalcite group, with M 2+:M 3+ = 3:1 (layer spacing ∼7.8 Å); (2) the quintinite group, with M 2+:M 3+ = 2:1 (layer spacing ∼7.8 Å); (3) the fougèrite group, with M 2+ = Fe2+, M 3+ = Fe3+ in a range of ratios, and with O2- replacing OH- in the brucite module to maintain charge balance (layer spacing ∼7.8 Å); (4) the woodwardite group, with variable M 2+:M 3+ and interlayer [SO4] 2-, leading to an expanded layer spacing of ∼8.9 Å; (5) the cualstibite group, with interlayer [Sb(OH)6]- and a layer spacing of ∼9.7 Å; (6) the glaucocerinite group, with interlayer [SO4]2- as in the woodwardite group, and with additional interlayer H2O molecules that further expand the layer spacing to ∼11 Å; (7) the wermlandite group, with a layer spacing of ∼11 Å, in which cationic complexes occur with anions between the brucite-like layers; and (8) the hydrocalumite group, with M 2+ = Ca2+ and M 3+ = Al, which contains brucite-like layers in which the Ca:Al ratio is 2:1 and the large cation, Ca2+, is coordinated to a seventh ligand of 'interlayer' water. The principal mineral status changes are as follows. (1) The names manasseite, sjögrenite and barbertonite are discredited; these minerals are the 2H polytypes of hydrotalcite, pyroaurite and stichtite, respectively. Cyanophyllite is discredited as it is the 1M polytype of cualstibite. (2) The mineral formerly described as fougèrite has been found to be an intimate intergrowth of two phases with distinct Fe 2+:Fe3+ ratios. The phase with Fe2+:Fe 3+ = 2:1 retains the name fougèrite; that with Fe 2+:Fe3+ = 1:2 is defined as the new species trébeurdenite. (3) The new minerals omsite (IMA2012-025), Ni 2Fe3+(OH)6[Sb(OH)6], and mössbauerite (IMA2012-049), Fe3+ 6O 4(OH)8[CO3]•3H2O, which are both in the hydrotalcite supergroup are included in the discussion. (4) Jamborite, carrboydite, zincaluminite, motukoreaite, natroglaucocerinite, brugnatellite and muskoxite are identified as questionable species which need further investigation in order to verify their structure and composition. (5) The ranges of compositions currently ascribed to motukoreaite and muskoxite may each represent more than one species. The same applies to the approved species hydrowoodwardite and hydrocalumite. (6) Several unnamed minerals have been reported which are likely to represent additional species within the supergroup. This report has been approved by the Commission on New Minerals, Nomenclature and Classification (CNMNC) of the International Mineralogical Association, voting proposal 12-B. We also propose a compact notation for identifying synthetic LDH phases, for use by chemists as a preferred alternative to the current widespread misuse of mineral names. © 2012 Mineralogical Society.Fil: Mills, S.J.. Museum Victoria; AustraliaFil: Christy, A.G.. Australian National University. Centre for Advanced Microscopy; AustraliaFil: Génin, J. M. R.. CNRS-Université de Lorraine; FranciaFil: Kameda, T.. Tohoku University. Graduate School of Environmental Studies; JapónFil: Colombo, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigaciones en Ciencias de la Tierra. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Centro de Investigaciones en Ciencias de la Tierra; Argentin

Europa: Prospects for an ocean and exobiological implications

As far as we know, Earth is the only planet in our solar system that supports life. It is natural, therefore, that our understanding of life as a planetary phenomenon is based upon Earth-like planets. There are environments in the solar system where liquid water, commonly believed to be a prerequisite for biological activity, may exist in a distinctly non-Earth-like environment. One such location is Europa, one of the Galilean satellites of Jupiter. The possibility that liquid water exists on Europa presents us with some interesting exobiological implications concerning the potential of the satellite to support life. Topics include the following: an ocean on Europa; thermal evolution of Europa; Europa's three models; exobiological implications; early conditions of Europa; low-temperature abiotic chemistry; possibility of the emergence of life on Europa; prerequisites for the habitability of Europa; energy sources for biosynthesis and metabolic activity; habitability of Europa by anaerobic life; and habitability by aerobic life

Epitaxial Ferromagnetic Nanoislands of Cubic GdN in Hexagonal GaN

Periodic structures of GdN particles encapsulated in a single crystalline GaN matrix were prepared by plasma assisted molecular beam epitaxy. High resolution X-ray diffractometery shows that GdN islands, with rock salt structure are epitaxially oriented to the wurtzite GaN matrix. Scanning transmission electron microscopy combined with in-situ reflection high energy electron diffraction allows for the study of island formation dynamics, which occurs after 1.2 monolayers of GdN coverage. Magnetometry reveals two ferromagnetic phases, one due to GdN particles with Curie temperature of 70K and a second, anomalous room temperature phase.Comment: 4 pages, 3 figure

Consultation skills development in general practice: findings from a qualitative study of newly recruited and more experienced clinical pharmacists during the COVID-19 pandemic.

The new structured medication review (SMR) service was introduced into the National Health Service in England during the COVID-19 pandemic, following a major expansion of clinical pharmacists within new formations known as primary care networks (PCNs). The aim of the SMR is to tackle problematic polypharmacy through comprehensive, personalised medication reviews involving shared decision-making. Investigation of clinical pharmacists' perceptions of training needs and skills acquisition issues for person-centred consultation practice will help better understand their readiness for these new roles. A longitudinal interview and observational study in general practice. A longitudinal study of 10 newly recruited clinical pharmacists interviewed three times, plus a single interview with 10 pharmacists recruited earlier and already established in general practice, across 20 newly forming PCNs in England. Observation of a compulsory 2-day history taking and consultation skills workshop. A modified framework method supported a constructionist thematic analysis. Remote working during the pandemic limited opportunities for patient-facing contact. Pharmacists new to their role in general practice were predominantly concerned with improving clinical knowledge and competence. Most said they already practiced person-centred care, using this terminology to describe transactional medicines-focused practice. Pharmacists rarely received direct feedback on consultation practice to calibrate perceptions of their own competence in person-centred communication, including shared decision-making skills. Training thus provided knowledge delivery with limited opportunities for actual skills acquisition. Pharmacists had difficulty translating abstract consultation principles into specific consultation practices. SMRs were introduced when the dedicated workforce was largely new and being trained. Addressing problematic polypharmacy requires structural and organisational interventions to enhance the communication skills of clinical pharmacists (and other health professionals), and their use in practice. The development of person-centred consultation skills requires much more substantial support than has so far been provided for clinical pharmacists. [Abstract copyright: © Author(s) (or their employer(s)) 2023. Re-use permitted under CC BY-NC. No commercial re-use. See rights and permissions. Published by BMJ.

Alcohol, the overlooked drug: clinical pharmacist perspectives on addressing alcohol in primary care.

Attempts to routinely embed brief interventions in health systems have long been challenging, with healthcare professionals concerned about role adequacy, legitimacy, and support. This is the first study to explore clinical pharmacists' experiences of discussing alcohol with patients in their new role in UK primary care, in developing a novel approach to brief intervention. It investigates their confidence with the subject of alcohol in routine practice and explores views on a new approach, integrating alcohol into the medication review as another drug directly linked to the patient's health conditions and medicines, rather than a separated 'healthy living' issue. The study forms part of wider efforts to repurpose and reimagine the potential application of brief interventions and to rework their contents. Longitudinal qualitative study of 10 recruits to the new clinical pharmacist role in English primary care, involving three semi-structured interviews over approximately 16 months, supplemented by 10 one-off interviews with pharmacists already established in general practice. When raised at all, enquiring about alcohol in medication reviews was described in terms of calculating dose and level of consumption, leading to crude advice to reduce drinking. The idea was that those who appeared dependent should be referred to specialist services, though few such referrals were recalled. Pharmacists acknowledged that they were not currently considering alcohol as a drug in their practice and were interested in learning more about this concept and the approach it entailed, particularly in relation to polypharmacy. Some recognised a linked need to enhance consultation skills. Alcohol complicates routine clinical care and adversely impacts patient outcomes, even for those drinking at seemingly unremarkable levels. Changing clinical practice on alcohol requires engaging with, and supportively challenging, routine practices and entrenched ideas of different kinds. Framing alcohol as a drug may help shift the focus from patients with alcohol problems to problems caused for patients by alcohol. This is less stigmatising and provides role legitimacy for pharmacists to address alcohol clinically in medication reviews, thus providing one element in the formation of a new prevention paradigm. This approach invites further innovations tailored to other healthcare professional roles. [Abstract copyright: © 2023. The Author(s).

Structure of a Complete ATP Synthase Dimer Reveals the Molecular Basis of Inner Mitochondrial Membrane Morphology

We determined the structure of a complete, dimeric F1Fo-ATP synthase from yeast Yarrowia lipolytica mitochondria by a combination of cryo-EM and X-ray crystallography. The final structure resolves 58 of the 60 dimer subunits. Horizontal helices of subunit a in Fo wrap around the c-ring rotor, and a total of six vertical helices assigned to subunits a, b, f, i, and 8 span the membrane. Subunit 8 (A6L in human) is an evolutionary derivative of the bacterial b subunit. On the lumenal membrane surface, subunit f establishes direct contact between the two monomers. Comparison with a cryo-EM map of the F1Fo monomer identifies subunits e and g at the lateral dimer interface. They do not form dimer contacts but enable dimer formation by inducing a strong membrane curvature of ∼100°. Our structure explains the structural basis of cristae formation in mitochondria, a landmark signature of eukaryotic cell morphology

The quantum metrology triangle and the re-definition of the SI ampere and kilogram; Analysis of a reduced set of observational equations

We have developed a set of seven observational equations that include all of the physics necessary to relate the most important of the fundamental constants to the definitions of the SI kilogram and ampere. We have used these to determine the influence of alternative definitions being considered for the SI kilogram and ampere on the uncertainty of three of the fundamental constants (h, e and mu). We have also reviewed the experimental evidence for the exactness of the quantum metrology triangle resulting from experiments combining the quantum Hall effect, the Josephson effects and single-electron tunnelling.Comment: 16 pages, 3 figures & 5 table

Carbon nanotube: a low-loss spin-current waveguide

We demonstrate with a quantum-mechanical approach that carbon nanotubes are excellent spin-current waveguides and are able to carry information stored in a precessing magnetic moment for long distances with very little dispersion and with tunable degrees of attenuation. Pulsed magnetic excitations are predicted to travel with the nanotube Fermi velocity and are able to induce similar excitations in remote locations. Such an efficient way of transporting magnetic information suggests that nanotubes are promising candidates for memory devices with fast magnetization switchings