600 research outputs found
Lattice thermal conductivity of TiZrHfNiSn half-Heusler alloys calculated from first principles: Key role of nature of phonon modes
In spite of their relatively high lattice thermal conductivity
, the XNiSn (X=Ti, Zr or Hf) half-Heusler compounds are good
thermoelectric materials. Previous studies have shown that can
be reduced by sublattice-alloying on the X-site. To cast light on how the alloy
composition affects , we study this system using the phonon
Boltzmann-transport equation within the relaxation time approximation in
conjunction with density functional theory.The effect of alloying through
mass-disorder scattering is explored using the virtual crystal approximation to
screen the entire ternary TiZrHfNiSn phase diagram. The
lowest lattice thermal conductivity is found for the TiHfNiSn
compositions; in particular, there is a shallow minimum centered at
TiHfNiSn with taking values between 3.2 and 4.1 W/mK
when the Ti content varies between 20 and 80\%. Interestingly, the overall
behavior of mass-disorder scattering in this system can only be understood from
a combination of the nature of the phonon modes and the magnitude of the mass
variance. Mass-disorder scattering is not effective at scattering acoustic
phonons of low energy. By using a simple model of grain boundary scattering, we
find that nanostructuring these compounds can scatter such phonons effectively
and thus further reduce the lattice thermal conductivity; for instance,
TiHfNiSn with a grain size of nm experiences a 42\%
reduction of compared to that of the single crystal
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
The theoretical description of sparse matter attracts much interest, in
particular for those ground-state properties that can be described by density
functional theory (DFT). One proposed approach, the van der Waals density
functional (vdW-DF) method, rests on strong physical foundations and offers
simple yet accurate and robust functionals. A very recent functional within
this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89,
035412] stands out in its attempt to use an exchange energy derived from the
same plasmon-based theory from which the nonlocal correlation energy was
derived. Encouraged by its good performance for solids, layered materials, and
aromatic molecules, we apply it to several systems that are characterized by
competing interactions. These include the ferroelectric response in PbTiO,
the adsorption of small molecules within metal-organic frameworks (MOFs), the
graphite/diamond phase transition, and the adsorption of an aromatic-molecule
on the Ag(111) surface. Our results indicate that vdW-DF-cx is overall well
suited to tackle these challenging systems. In addition to being a competitive
density functional for sparse matter, the vdW-DF-cx construction presents a
more robust general purpose functional that could be applied to a range of
materials problems with a variety of competing interactions
NOVIWAM : Five European countries together for improving water quality and water use efficiency
The European NOVIWAM (NOvel Integrated Water Management Systems for Southern European Regions, www.noviwam.eu) program aims to promote interregional co-operation in the field of water management tools and methods. One of its originality is to analyze in depth the relations between decision makers, stakeholders and researchers in order to disseminate know-how and technologies, and to tackle the compelling water management problems faced in the Euro-Mediterranean climate regions. In a first period, aiming at a good ecological and chemical state of waters and at a sustainable and efficient resource management, five European countries/regions (Albania, Cyprus, Poitou-Charentes in France, Northern Region in Portugal and Andalusia in Spain) are working together. The program will thus contribute to the objectives of the European Water Framework Directive. But additionally, the NOVIWAM program will establish a schedule for the implementation of a « Join action plan », trying to involve other countries into it, and generalize the conclusions of this three year work at a regional and international level.NOVIWAM (Grant Agreement nÂș 245460
On post-Lie algebras, Lie--Butcher series and moving frames
Pre-Lie (or Vinberg) algebras arise from flat and torsion-free connections on
differential manifolds. They have been studied extensively in recent years,
both from algebraic operadic points of view and through numerous applications
in numerical analysis, control theory, stochastic differential equations and
renormalization. Butcher series are formal power series founded on pre-Lie
algebras, used in numerical analysis to study geometric properties of flows on
euclidean spaces. Motivated by the analysis of flows on manifolds and
homogeneous spaces, we investigate algebras arising from flat connections with
constant torsion, leading to the definition of post-Lie algebras, a
generalization of pre-Lie algebras. Whereas pre-Lie algebras are intimately
associated with euclidean geometry, post-Lie algebras occur naturally in the
differential geometry of homogeneous spaces, and are also closely related to
Cartan's method of moving frames. Lie--Butcher series combine Butcher series
with Lie series and are used to analyze flows on manifolds. In this paper we
show that Lie--Butcher series are founded on post-Lie algebras. The functorial
relations between post-Lie algebras and their enveloping algebras, called
D-algebras, are explored. Furthermore, we develop new formulas for computations
in free post-Lie algebras and D-algebras, based on recursions in a magma, and
we show that Lie--Butcher series are related to invariants of curves described
by moving frames.Comment: added discussion of post-Lie algebroid
Modulation of vaccine-induced immune responses to hepatitis C virus in rhesus macaques by altering priming before adenovirus boosting
BACKGROUND:
Preventive and therapeutic vaccine strategies aimed at controlling hepatitis C virus (HCV) infection should mimic the immune responses observed in patients who control or clear HCV, specifically T helper (Th) type 1 and CD8+ cell responses to multiple antigens, including nonstructural protein (NS) 3. Given the experience with human immunodeficiency virus, the best candidates for this are based on DNA prime, pox, or adenovirus boost regimens.
METHODS:
In rhesus macaques, we compared NS3-expressing DNA prime and adenovirus boost strategy with 2 alternative priming approaches aimed at modifying Th1 and CD8+ responses: DNA adjuvanted with interleukin (IL)-2- and -12-encoding plasmids or Semliki Forest virus (SFV).
RESULTS:
All prime-boost regimens elicited NS3-specific B and T cell responses in rhesus macaques, including CD8+ responses. SFV priming induced higher lymphoproliferation and longer Th1 memory responses. The use of IL-2- and IL-12-expressing vectors resulted in reduced Th2 and antibody responses, which led to increased Th1 skewing but not to an increase in the magnitude of the IFN- gamma and CD8+ responses.
CONCLUSIONS:
All strategies induced Th1 cellular responses to HCV NS3, with fine modulations depending on the different priming approaches. When they are developed for more HCV antigens, these strategies could be beneficial in therapeutic vaccine approaches
Acute tubulointerstitial nephritis complicating Legionnaires' disease: a case report
<p>Abstract</p> <p>Introduction</p> <p>Legionnaires' disease is recognized as a multi-systemic illness. Afflicted patients may have pulmonary, renal, gastrointestinal tract and central nervous system complications. However, renal insufficiency is uncommon. The spectrum of renal involvement may range from a mild and transient elevation of serum creatinine levels to anuric renal failure requiring dialysis and may be linked to several causes. In our present case report, we would like to draw attention to the importance of the pathological documentation of acute renal failure by reporting a case of a patient with acute tubulointerstitial nephritis complicating Legionnaires' disease.</p> <p>Case presentation</p> <p>A 55-year-old Caucasian man was admitted to our hospital for community-acquired pneumonia complicated by acute renal failure. <it>Legionella pneumophila </it>serogroup type 1 was diagnosed. Although the patient's respiratory illness responded to intravenous erythromycin and ofloxacin therapy, his renal failure worsened, he became anuric, and hemodialysis was started. A renal biopsy was performed, which revealed severe tubulointerstitial nephritis. After initiation of steroid therapy, his renal function improved dramatically.</p> <p>Conclusions</p> <p>This case highlights the importance of kidney biopsies in cases where acute renal failure is a complicating factor in Legionnaires' disease. If the presence of acute tubulointerstitial nephritis can be confirmed, it will likely respond favorably to steroidal treatment and thus irreversible renal damage and chronic renal failure will be avoided.</p
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