Permutation-invariant distance between atomic configurations

We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables to directly compare different atomic environments with an arbitrary number of particles, without going through a space of reduced dimensionality (i.e. fingerprints) as an intermediate step. Moreover, this distance is naturally invariant through permutations of atoms, avoiding the time consuming associated minimization required by other common criteria (like the Root Mean Square Distance). Finally, the invariance through global rotations is accounted for by a minimization procedure in the space of rotations solved by Monte Carlo simulated annealing. A formal framework is also introduced, showing that the distance we propose verifies the property of a metric on the space of atomic configurations. Two examples of applications are proposed. The first one consists in evaluating faithfulness of some fingerprints (or descriptors), i.e. their capacity to represent the structural information of a configuration. The second application concerns structural analysis, where our distance proves to be efficient in discriminating different local structures and even classifying their degree of similarity

Magma flow inferred from AMS fabrics in a layered mafic sill, Insizwa, South Africa

The Insizwa sill, is a 25-km-diameter, >1000-m-thick layered mafic intrusion, part of the Karoo Igneous Province in South Africa. The peridotitic and gabbronoritic rocks are undeformed and mineral fabrics demonstrably result from magma flow. A horizontal, centimeter-scale model layering is visible in numerous outcrops. Plagioclase crystals are both tabular and elongated. Their preferred orientation, parallel to the layering, forms a foliation and a NW–SE lineation, respectively interpreted as the magma flow plane and flow direction. Throughout the 78 stations of this study (699 specimens), magnetic susceptibilities (K[subscript m]) range from 750 to 10,000×10[superscript (−6)] SI. The magnetic anisotropy (P[subscript j]) ranges from 1.03 to 1.08. Magnetic ellipsoids are both prolate and oblate (average T[subscript j]≈0). Anisotropy of magnetic susceptibility (AMS) fabrics are dominated by multidomain to pseudo-single domain magnetite. High-field magnetic experiments indicate that the paramagnetic contribution from the mafic silicates is less than 50 percentage for low susceptibility rock types. The anisotropy results from magnetite grain shape solely as shown by no significant increase in P[subscript j] with increasing K[subscript m]. The magnetic lineation (305°, 05°) is consistent throughout the sill at various scales and coincides with the mineral lineation in average. In contrast, the magnetic foliation (125° NE 10°) is generally perpendicular to the mineral foliation and to the layering. Several explanations for this odd configuration are discussed. The variations of magnetic parameters across the layering and field observations point to a multiple injection. The magnetic lineation is consistent with the presence of a single feeder dike situated to the SE of the sill

Probing the interface magnetism in the FeMn/NiFe exchange bias system using magnetic second harmonic generation

Second harmonic generation magneto-optic Kerr effect (SHMOKE) experiments, sensitive to buried interfaces, were performed on a polycrystalline NiFe/FeMn bilayer in which areas with different exchange bias fields were prepared using 5 KeV He ion irradiation. Both reversible and irreversible uncompensated spins are found in the antiferromagnetic layer close to the interface with the ferromagnetic layer. The SHMOKE hysteresis loop shows the same exchange bias field as obtained from standard magnetometry. We demonstrate that the exchange bias effect is controlled by pinned uncompensated spins in the antiferromagnetic layer.Comment: submitted to Phys. Rev. Let

Taking SPARQL 1.1 extensions into account in the SWIP system

International audienceThe SWIP system aims at hiding the complexity of expressing a query in a graph query language such as SPARQL. We propose a mechanism by which a query expressed in natural language is translated into a SPARQL query. Our system analyses the sentence in order to exhibit concepts, instances and relations. Then it generates a query in an internal format called the pivot language. Finally, it selects pre-written query patterns and instantiates them with regard to the keywords of the initial query. These queries are presented by means of explicative natural language sentences among which the user can select the query he/she is actually interested in. We are currently focusing on new kinds of queries which are handled by the new version of our system, which is now based on the 1.1 version of SPARQL

Magnetic reversal in ion-irradiated FePt thin films

International audiencePrevious work on ion irradiation control of FePt thin films magnetic anisotropy is extended to ultrathin films (2-10nm). The effects of 30keV He ion irradiation on the magnetic properties are explored as a function of ion fluence and film thickness. Depending on their growth conditions, the thinnest films exhibit different magnetic properties. Although this affects their final magnetic behaviour, we show that after irradiation at 300 @BULLET C the easy magnetization axis may rotate entirely from inplane to out-of-plane at very low fluences, e.g. 2×10 13 He + /cm 2 on 5 nm thick film. This demonstrates the extreme sensitivity of the magnetic anisotropy to ion-induced local L1 0 ordering. Under these conditions, ultrathin films may exhibit perfectly square hysteresis loops with 100% remnant magnetization and low coercivity

A new fast-acting backup protection strategy for embedded MVDC links in future distribution networks

This paper presents a new fast-acting backup protection strategy for future hybrid ac-dc distribution networks. By examining the impedance measured by a distance protection relay measuring from the “ac-side” of the network, a unique characteristic is established for faults occurring on the “dc-side” of an embedded medium-voltage dc (MVDC) link, interconnecting two 33 kV distribution network sections. Based on the identified impedance characteristic, appropriate settings are developed and deployed on a verified software model of a commercially available distance protection relay. To remain stable for ac-side faults, it is found that the tripping logic of the device must be altered to provide correct time grading between standard, ac, protection zones and the fast-acting dc region, which can identify faults on the dc system within 40 ms. An additional confirmatory check is also employed to reduce the likelihood of mal-operation. Trials on a test system derived from an actual distribution network, which employs distance protection, are shown to provide stable operation for both ac-side and dc-side pole-pole and pole-pole-ground fault

Aging dynamics of non-linear elastic interfaces: the Kardar-Parisi-Zhang equation

In this work, the out-of-equilibrium dynamics of the Kardar-Parisi-Zhang equation in (1+1) dimensions is studied by means of numerical simulations, focussing on the two-times evolution of an interface in the absence of any disordered environment. This work shows that even in this simple case, a rich aging behavior develops. A multiplicative aging scenario for the two-times roughness of the system is observed, characterized by the same growth exponent as in the stationary regime. The analysis permits the identification of the relevant growing correlation length, accounting for the important scaling variables in the system. The distribution function of the two-times roughness is also computed and described in terms of a generalized scaling relation. These results give good insight into the glassy dynamics of the important case of a non-linear elastic line in a disordered medium.Comment: 14 pages, 6 figure

The Antioxidant Potential of the Mediterranean Diet in Patients at High Cardiovascular Risk: An In-Depth Review of the PREDIMED

Cardiovascular disease (CVD) is the leading global cause of death. Diet is known to be important in the prevention of CVD. The PREDIMED trial tested a relatively low-fat diet versus a high-fat Mediterranean diet (MedDiet) for the primary prevention of CVD. The resulting reduction of the CV composite outcome resulted in a paradigm shift in CV nutrition. Though many dietary factors likely contributed to this effect, this review focuses on the influence of the MedDiet on endogenous antioxidant systems and the effect of dietary polyphenols. Subgroup analysis of the PREDIMED trial revealed increased endogenous antioxidant and decreased pro-oxidant activity in the MedDiet groups. Moreover, higher polyphenol intake was associated with lower incidence of the primary outcome, overall mortality, blood pressure, inflammatory biomarkers, onset of new-onset type 2 diabetes mellitus (T2DM), and obesity. This suggests that polyphenols likely contributed to the lower incidence of the primary event in the MedDiet groups. In this article, we summarize the potential benefits of polyphenols found in the MedDiet, specifically the PREDIMED cohort. We also discuss the need for further research to confirm and expand the findings of the PREDIMED in a non-Mediterranean population and to determine the exact mechanisms of action of polyphenols