Disorder effects in the quantum Heisenberg model: An Extended Dynamical mean-field theory analysis

We investigate a quantum Heisenberg model with both antiferromagnetic and disordered nearest-neighbor couplings. We use an extended dynamical mean-field approach, which reduces the lattice problem to a self-consistent local impurity problem that we solve by using a quantum Monte Carlo algorithm. We consider both two- and three-dimensional antiferromagnetic spin fluctuations and systematically analyze the effect of disorder. We find that in three dimensions for any small amount of disorder a spin-glass phase is realized. In two dimensions, while clean systems display the properties of a highly correlated spin-liquid (where the local spin susceptibility has a non-integer power-low frequency and/or temperature dependence), in the present case this behavior is more elusive unless disorder is very small. This is because the spin-glass transition temperature leaves only an intermediate temperature regime where the system can display the spin-liquid behavior, which turns out to be more apparent in the static than in the dynamical susceptibility.Comment: 15 pages, 7 figure

Study of the Boson Peak and Fragility of Bioprotectant Glass-Forming Mixtures by Neutron Scattering

The biological relevance of trehalose, glycerol, and their mixtures in several anhydrobiotic and cryobiotic organisms has recently promoted both experimental and simulation studies. In addition, these systems are employed in different industrial fields, such as pharmaceutical and cosmetic industries, as additives in mixtures for cryopreservation and in several formulations. This review article shows an overview of Inelastic Neutron Scattering (INS) data, collected at different temperature values by the OSIRIS time-of-flight spectrometer at the ISIS Facility (Rutherford Appleton Laboratory, Oxford, UK) and by the IN4 and IN6 spectrometers at the Institut Laue Langevin (ILL, Grenoble, France), on trehalose/glycerol mixtures as a function of the glycerol content. The data analysis allows determining the Boson peak behavior and discussing the findings in terms of fragility in relation to the bioprotective action of trehalose and glycerol

IXIAM: ISA EXtension for Integrated Accelerator Management

During the last few years, hardware accelerators have been gaining popularity thanks to their ability to achieve higher performance and efficiency than classic general-purpose solutions. They are fundamentally shaping the current generations of Systems-on-Chip (SoCs), which are becoming increasingly heterogeneous. However, despite their widespread use, a standard, general solution to manage them while providing speed and consistency has not yet been found. Common methodologies rely on OS mediation and a mix of user-space and kernel-space drivers, which can be inefficient, especially for fine-grained tasks. This paper addresses these sources of inefficiencies by proposing an ISA eXtension for Integrated Accelerator Management (IXIAM), a cost-effective HW-SW framework to control a wide variety of accelerators in a standard way, and directly from the cores. The proposed instructions include reservation, work offloading, data transfer, and synchronization. They can be wrapped in a high-level software API or even integrated into a compiler. IXIAM features also a user-space interrupt mechanism to signal events directly to the user process. We implement it as a RISC-V extension in the gem5 simulator and demonstrate detailed support for complex accelerators, as well as the ability to specify sequences of memory transfers and computations directly from the ISA and with significantly lower overhead than driver-based schemes. IXIAM provides a performance advantage that is more evident for small and medium workloads, reaching around 90x in the best case. This way, we enlarge the set of workloads that would benefit from hardware acceleration

Intrinsic susceptibility and bond defects in the novel 2D frustrated antiferromagnet Ba2_{2}Sn2_{2}ZnCr7p_{7p}Ga10−7p_{10-7p}O22_{22}

We present microscopic and macroscopic magnetic properties of the highly frustrated antiferromagnet Ba$_{2}$Sn$_{2}$ZnCr$_{7p}$Ga$_{10-7p}$O$_{22}$, respectively probed with NMR and SQUID experiments. The $T$-variation of the intrinsic susceptibility of the Cr$^{3+}$ frustrated kagom\'{e} bilayer, $\chi_{kag}$, displays a maximum around 45 K. The dilution of the magnetic lattice has been studied in detail for $0.29 \leq p \leq0.97$. Novel dilution independent defects, likely related with magnetic bond disorder, are evidenced and discussed. We compare our results to SrCr$_{9p}$Ga$_{12-9p}$O$_{19}$. Both bond defects and spin vacancies do not affect the average susceptibility of the kagom\'{e} bilayers.Comment: Published in Phys. Rev. Lett. 92, 217202 (2004). Only minor changes as compared to previous version. 4 pages, 4 figure

Molecular Deuterion crystallitation under cuasi-1D confienment

ECNS 2015, Zaragoza (Spain), August 30th-September 4th 2015A particularly interesting aspect of Carbon Nanotubes is their use as nearly one-dimensional nano-containers. Apart of their possibilities for controlled chemistry in nano- fluidics devices new phenomena induced by confinement are also expected, such as liquid like ordered structures or exotic crystalline phases. Here, we present a series of neutron diffraction measurements (instrument D20, ILL, Grenoble) of molecular deuterium confined within Multiple Wall Carbon Nanotubes (MWCTNs). Bulk liquid D2 at its vapour pressure crystallises in an hcp structure at ~18.7 K. At low uptakes we have found a clear depression of the solidification temperature down to ~13.25 K. Interestingly, at the lowest uptake the diffraction pattern is consistent with the minimal fcc lattice compatible with a cylindrical symmetry.Peer Reviewe

Collective excitations in liquid D2 confined within the mesoscopic pores of a MCM-41 molecular sieve

We present a comparative study of the excitations in bulk and liquid D2 confined within the pores of MCM-41. The material (Mobile Crystalline Material-41) is a silicate obtained by means of a template that yields a partially crystalline structure composed by arrays of nonintersecting hexagonal channels of controlled width having walls made of amorphous SiO2. Its porosity was characterized by means of adsorption isotherms and found to be composed by a regular array of pores having a narrow distribution of sizes with a most probable value of 2.45 nm. The assessment of the precise location of the sample within the pores is carried out by means of pressure isotherms. The study was conducted at two pressures which correspond to pore fillings above the capillary condensation regime. Within the range of wave vectors where collective excitations can be followed up (0.3<Q<3.0 $\AA$&#8722;1), we found confinement brings forward a large shortening of the excitation lifetimes that shifts the characteristic frequencies to higher energies. In addition, the coherent quasielastic scattering shows signatures of reduced diffusivity.Comment: 6 page

White matter integrity as a predictor of response to treatment in first episode psychosis

The integrity of brain white matter connections is central to a patient's ability to respond to pharmacological interventions. This study tested this hypothesis using a specific measure of white matter integrity, and examining its relationship to treatment response using a prospective design in patients within their first episode of psychosis. Diffusion tensor imaging data were acquired in 63 patients with first episode psychosis and 52 healthy control subjects (baseline). Response was assessed after 12 weeks and patients were classified as responders or non-responders according to treatment outcome. At this second time-point, they also underwent a second diffusion tensor imaging scan. Tract-based spatial statistics were used to assess fractional anisotropy as a marker of white matter integrity. At baseline, non-responders showed lower fractional anisotropy than both responders and healthy control subjects (P < 0.05; family-wise error-corrected), mainly in the uncinate, cingulum and corpus callosum, whereas responders were indistinguishable from healthy control subjects. After 12 weeks, there was an increase in fractional anisotropy in both responders and non-responders, positively correlated with antipsychotic exposure. This represents one of the largest, controlled investigations of white matter integrity and response to antipsychotic treatment early in psychosis. These data, together with earlier findings on cortical grey matter, suggest that grey and white matter integrity at the start of treatment is an important moderator of response to antipsychotics. These findings can inform patient stratification to anticipate care needs, and raise the possibility that antipsychotics may restore white matter integrity as part of the therapeutic response

BioWorkbench: A High-Performance Framework for Managing and Analyzing Bioinformatics Experiments

Advances in sequencing techniques have led to exponential growth in biological data, demanding the development of large-scale bioinformatics experiments. Because these experiments are computation- and data-intensive, they require high-performance computing (HPC) techniques and can benefit from specialized technologies such as Scientific Workflow Management Systems (SWfMS) and databases. In this work, we present BioWorkbench, a framework for managing and analyzing bioinformatics experiments. This framework automatically collects provenance data, including both performance data from workflow execution and data from the scientific domain of the workflow application. Provenance data can be analyzed through a web application that abstracts a set of queries to the provenance database, simplifying access to provenance information. We evaluate BioWorkbench using three case studies: SwiftPhylo, a phylogenetic tree assembly workflow; SwiftGECKO, a comparative genomics workflow; and RASflow, a RASopathy analysis workflow. We analyze each workflow from both computational and scientific domain perspectives, by using queries to a provenance and annotation database. Some of these queries are available as a pre-built feature of the BioWorkbench web application. Through the provenance data, we show that the framework is scalable and achieves high-performance, reducing up to 98% of the case studies execution time. We also show how the application of machine learning techniques can enrich the analysis process