Thermal conductivity and phonon hydrodynamics in transition metal dichalcogenides from first-principles

We carry out a systematic study of the thermal conductivity of four single-layer transition metal dichalcogenides, MX$_2$ (M = Mo, W; X = S, Se) from first-principles by solving the Boltzmann Transport Equation (BTE). We compare three different theoretical frameworks to solve the BTE beyond the Relaxation Time Approximation (RTA), using the same set of interatomic force constants computed within density functional theory (DFT), finding that the RTA severely underpredicts the thermal conductivity of MS$_2$ materials. Calculations of the different phonon scattering relaxation times of the main collision mechanisms and their corresponding mean free paths (MFP) allow evaluating the expected hydrodynamic behaviour in the heat transport of such monolayers. These calculations indicate that despite of their low thermal conductivity, the present TMDs can exhibit large hydrodynamic effects, being comparable to those of graphene, especially for WSe$_2$ at high temperatures.Comment: 16 pages, 9 figure

Class-Weighted Convolutional Features for Visual Instance Search

Image retrieval in realistic scenarios targets large dynamic datasets of unlabeled images. In these cases, training or fine-tuning a model every time new images are added to the database is neither efficient nor scalable. Convolutional neural networks trained for image classification over large datasets have been proven effective feature extractors for image retrieval. The most successful approaches are based on encoding the activations of convolutional layers, as they convey the image spatial information. In this paper, we go beyond this spatial information and propose a local-aware encoding of convolutional features based on semantic information predicted in the target image. To this end, we obtain the most discriminative regions of an image using Class Activation Maps (CAMs). CAMs are based on the knowledge contained in the network and therefore, our approach, has the additional advantage of not requiring external information. In addition, we use CAMs to generate object proposals during an unsupervised re-ranking stage after a first fast search. Our experiments on two public available datasets for instance retrieval, Oxford5k and Paris6k, demonstrate the competitiveness of our approach outperforming the current state-of-the-art when using off-the-shelf models trained on ImageNet. The source code and model used in this paper are publicly available at http://imatge-upc.github.io/retrieval-2017-cam/.Comment: To appear in the British Machine Vision Conference (BMVC), September 201

Coexistence of Pairing Tendencies and Ferromagnetism in a Doped Two-Orbital Hubbard Model on Two-Leg Ladders

Using the Density Matrix Renormalization Group and two-leg ladders, we investigate an electronic two-orbital Hubbard model including plaquette diagonal hopping amplitudes. Our goal is to search for regimes where charges added to the undoped state form pairs, presumably a precursor of a superconducting state.For the electronic density $\rho=2$, i.e. the undoped limit, our investigations show a robust $(\pi,0)$ antiferromagnetic ground state, as in previous investigations. Doping away from $\rho=2$ and for large values of the Hund coupling $J$, a ferromagnetic region is found to be stable. Moreover, when the interorbital on-site Hubbard repulsion is smaller than the Hund coupling, i.e. for $U'<J$ in the standard notation of multiorbital Hubbard models, our results indicate the coexistence of pairing tendencies and ferromagnetism close to $\rho=2$. These results are compatible with previous investigations using one dimensional systems. Although further research is needed to clarify if the range of couplings used here is of relevance for real materials, such as superconducting heavy fermions or pnictides, our theoretical results address a possible mechanism for pairing that may be active in the presence of short-range ferromagnetic fluctuations.Comment: 8 pages, 4 Fig

Implementation of the SU(2) Hamiltonian Symmetry for the DMRG Algorithm

In the Density Matrix Renormalization Group (DMRG) algorithm, Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient than diagonalizing the original matrix. This paper explains how the the DMRG++ code has been extended to handle the non-local SU(2) symmetry in a model independent way. Improvements in CPU times compared to runs with only local symmetries are discussed for the one-orbital Hubbard model, and for a two-orbital Hubbard model for iron-based superconductors. The computational bottleneck of the algorithm and the use of shared memory parallelization are also addressed.Comment: elsarticle, 1 figur

Subjetividades on line: Entre la vigilancia y la autorreferencia global

A partir de lecturas antropológicas, comunicacionales y sociológicas, el presente ensayo buscar reflexionar como el uso y apropiación de las tecnologías de la información han desembocado en nuevas formas de subjetividades, vigilancia, control  y seguridad social. Conceptos como panóptico, sinóptico, seguridad e identidad se han vuelto recurrentes en los debates sociales sobre las tecnologías, especialmente cuando asistimos a un mundo en que lo digital ha cambiado la manera de reconocernos, representarnos y estar en el mundo

Implementation of the K-Means Algorithm on Heterogeneous Devices: A Use Case Based on an Industrial Dataset

This paper presents and analyzes a heterogeneous implementation of an industrial use case based on K-means that targets symmetric multiprocessing (SMP), GPUs and FPGAs. We present how the application can be optimized from an algorithmic point of view and how this optimization performs on two heterogeneous platforms. The presented implementation relies on the OmpSs programming model, which introduces a simplified pragma-based syntax for the communication between the main processor and the accelerators. Performance improvement can be achieved by the programmer explicitly specifying the data memory accesses or copies. As expected, the newer SMP+GPU system studied is more powerful than the older SMP+FPGA system. However the latter is enough to fulfill the requirements of our use case and we show that uses less energy when considering only the active power of the execution.This work is partially supported by the European Union H2020 project AXIOM (grant agreement n. 645496), HiPEAC (grant agreement n. 687698), and Mont-Blanc (grant agreements n. 288777, 610402 and 671697), the Spanish Government Programa Severo Ochoa (SEV-2015-0493), the Spanish Ministry of Science and Technology (TIN2015- 65316-P) and the Departament d’Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Programaci´o i Entorns d’Execució Paral·lels (2014-SGR-1051).Peer ReviewedPostprint (author's final draft

Periodic solutions with nonconstant sign in Abel equations of the second kind

The study of periodic solutions with constant sign in the Abel equation of the second kind can be made through the equation of the first kind. This is because the situation is equivalent under the transformation $x\mapsto x^{-1}$, and there are many results available in the literature for the first kind equation. However, the equivalence breaks down when one seeks for solutions with nonconstant sign. This note is devoted to periodic solutions with nonconstant sign in Abel equations of the second kind. Specifically, we obtain sufficient conditions to ensure the existence of a periodic solution that shares the zeros of the leading coefficient of the Abel equation. Uniqueness and stability features of such solutions are also studied.Comment: 10 page

Nitrate addition to groundwater impacted by ethanol-blended fuel accelerates ethanol removal and mitigates the associated metabolic flux dilution and inhibition of BTEX biodegradation

A comparison of two controlled ethanol-blended fuel releases under monitored natural attenuation (MNA) versus nitrate biostimulation (NB) illustrates the potential benefits of augmenting the electron acceptor pool with nitrate to accelerate ethanol removal and thus mitigate its inhibitory effects on BTEX biodegradation. Groundwater concentrations of ethanol and BTEX were measured 2 m downgradient of the source zones. In both field experiments, initial source-zone BTEX concentrations represented less than 5% of the dissolved total organic carbon (TOC) associated with the release, and measurable BTEX degradation occurred only after the ethanol fraction in the multicomponent substrate mixture decreased sharply. However, ethanol removal was faster in the nitrate amended plot (1.4 years) than under natural attenuation conditions (3.0 years), which led to faster BTEX degradation. This reflects, in part, that an abundant substrate (ethanol) can dilute the metabolic flux of target pollutants (BTEX) whose biodegradation rate eventually increases with its relative abundance after ethanol is preferentially consumed. The fate and transport of ethanol and benzene were accurately simulated in both releases using RT3D with our general substrate interaction module (GSIM) that considers metabolic flux dilution. Since source zone benzene concentrations are relatively low compared to those of ethanol (or its degradation byproduct, acetate), our simulations imply that the initial focus of cleanup efforts (after free-product recovery) should be to stimulate the degradation of ethanol (e.g., by nitrate addition) to decrease its fraction in the mixture and speed up BTEX biodegradation.Petróleo Brasileiro S/A — PETROBRASCoordination of Improvement of Higher Education Personnel (CAPES)National Council for Scientific and Technological Development (CNPq

Partitioning of trace elements in a entrained flow IGCC plant: Influence of selected operational conditions

The partitioning of trace elements and the influence of the feed conditions (50:50 coal/pet-coke feed blend and limestone addition) was investigated in this study. To this end feed fuel, fly ash and slag samples were collected under different operational conditions at the 335 MW Puertollano IGCC power plant (Spain) and subsequently analysed. The partitioning of elements in this IGCC plant may be summarised as follows: (a) high volatile elements (70–>99% in gas phase): Hg, Br, I, Cl and S; (b) moderately volatile elements (up to 40% in gas phase and 60% in fly ash): As, Sb, Se, B, F, Cd, Tl, Zn and Sn; (c) elements with high condensation potential: (>90% in fly ash): Pb, Ge, Ga and Bi; (d) elements enriched similarly in fly ash and slag 30–60% in fly ash: Cu, W, (P), Mo, Ni and Na; and (e) low volatile elements (>70% in slag): Cs, Rb, Co, K, Cr, V, Nb, Be, Hf, Ta, Fe, U, Ti, Al, Si, Y, Sr, Th, Zr, Mg, Ba, Mn, REEs, Ca and Li. The volatility of As, Sb, and Tl and the slagging of S, B, Cl, Cd and low volatile elements are highly influenced by the fuel geochemistry and limestone dosages, respectively