Miracle-dz/UniFAR-FTUs huggingface dataset:
Hardware Acceleration of High-Performance Computational Flow Dynamics Using High-Bandwidth Memory-Enabled Field-Programmable Gate Arrays

Scientific computing is at the core of many High-Performance Computing applications, including computational flow dynamics. Because of the utmost importance to simulate increasingly larger computational models, hardware acceleration is receiving increased attention due to its potential to maximize the performance of scientific computing. Field-Programmable Gate Arrays could accelerate scientific computing because of the possibility to fully customize the memory hierarchy important in irregular applications such as iterative linear solvers. In this article, we study the potential of using Field-Programmable Gate Arrays in High-Performance Computing because of the rapid advances in reconfigurable hardware, such as the increase in on-chip memory size, increasing number of logic cells, and the integration of High-Bandwidth Memories on board. To perform this study, we propose a novel Sparse Matrix-Vector multiplication unit and an ILU0 preconditioner tightly integrated with a BiCGStab solver kernel. We integrate the developed preconditioned iterative solver in Flow from the Open Porous Media project, a state-of-the-art open source reservoir simulator. Finally, we perform a thorough evaluation of the FPGA solver kernel in both stand-alone mode and integrated in the reservoir simulator, using the NORNE field, a real-world case reservoir model using a grid with more than 105 cells and using three unknowns per cell.
A New Weighting Scheme for Fan-beam and Circle Cone-beam CT Reconstructions

In this paper, we first present an arc based algorithm for fan-beam computed tomography (CT) reconstruction via applying Katsevich's helical CT formula to 2D fan-beam CT reconstruction. Then, we propose a new weighting function to deal with the redundant projection data. By extending the weighted arc based fan-beam algorithm to circle cone-beam geometry, we also obtain a new FDK-similar algorithm for circle cone-beam CT reconstruction. Experiments show that our methods can obtain higher PSNR and SSIM compared to the Parker-weighted conventional fan-beam algorithm and the FDK algorithm for super-short-scan trajectories.
Development of a Process for Co-Conversion of Pu-U Nitrate Mixed Solutions to Mixed Oxide Powder Using Microwave Heating Method

For the complete nuclear fuel cycle, the development of a process for the co-conversion of Pu-U nitrate mixed solutions to mixed oxide powder has been performed along the line of non-proliferation policy of nuclear materials. A new co-conversion process using a microwave heating method has been developed and successfully demonstrated with good results using the test unit with a capacity of 2 kg MOX/d. Through the experiments and engineering test operations, several important data have been obtained concerning the feasibility of the test unit, powder characteristics and homogeneity of the product, and impurity pickups during denitration process. The results of these experimental operations show that the co-conversion process using a microwave heating method has many excellent advantages, such as good powder characteristics of the product, good homogeneity of Pu-U oxide, simplicity of the process, minimum liquid waste, no possibility of changing the Pu/U ratio and stable operability of the plant. Since Augu.
Geometric Entropic Exploration

Exploration is essential for solving complex Reinforcement Learning (RL) tasks. Maximum State-Visitation Entropy (MSVE) formulates the exploration problem as a well-defined policy optimization problem whose solution aims at visiting all states as uniformly as possible. This is in contrast to standard uncertainty-based approaches where exploration is transient and eventually vanishes. However, existing approaches to MSVE are theoretically justified only for discrete state-spaces as they are oblivious to the geometry of continuous domains. We address this challenge by introducing Geometric Entropy Maximisation (GEM), a new algorithm that maximises the geometry-aware Shannon entropy of state-visits in both discrete and continuous domains. Our key theoretical contribution is casting geometry-aware MSVE exploration as a tractable problem of optimising a simple and novel noise-contrastive objective function. In our experiments, we show the efficiency of GEM in solving several RL problems with sparse rewards, compared against other deep RL exploration approaches.
A unifying approach on bias and variance analysis for classification

Standard bias and variance (B&V) terminologies were originally defined for the regression setting and their extensions to classification have led to several different models / definitions in the literature. In this paper, we aim to provide the link between the commonly used frameworks of Tumer&Ghosh (T&G) and James. By unifying the two approaches, we relate the B&V defined for the 0/1 loss to the standard B&V of the boundary distributions given for the squared error loss. The closed form relationships provide a deeper understanding of classification performance, and their use is demonstrated in two case studies.
AlGaN/GaN heterostructures with asymmetric graded-index separate confinement heterostructure for electron-beam pumped UV lasers

We present a study of undoped AlGaN/GaN separate confinement heterostructures designed to operate as electron beam pumped ultraviolet lasers. We discuss the effect of spontaneous and piezoelectric polarization on carrier diffusion, comparing the results of cathodoluminescence with electronic simulations of the band structure and Monte Carlo calculations of the electron trajectories. Carrier collection is significantly improved using an asymmetric graded-index separate confinement heterostructure (GRINSCH). The graded layers avoid potential barriers induced by polarization differences in the heterostructure and serve as strain transition buffers which reduce the mosaicity of the active region and the linewidth of spontaneous emission.
Polarized ethylene. V. Synthesis of 1‐substituted indolizine, pyrazolo[1,5‐a]pyridine, and their related compounds using methoxyethylene derivatives

The reaction of pyridinium or isoquinolinium N-ylides with methoxy-substituted ethylenes gave the corresponding indolizine and pyrrolo[2,1-a]isoquinoline derivatives bearing acetyl, aroyl, cyano, ester group at the 1-position in one step. Pyrazolo[1,5-a]pyridine, pyrazolo[1,5-a]quinoline, and pyrazolo[5,1-a]isoquinolines were also synthesized in good yields from the corresponding aromatic N-imines and methoxyethylene derivatives.
DNA Photonics [Deoxyribonucleic Acid]

ABSTRACT Purified deoxyribonucleic acid (DNA) derived from salmon and scallop sperm has demonstrated excellent passive and active optical properties. Characterization of the optical and electromagnetic properties of DNA suggests suitability for photonic applications. One of interesting features of DNA we discovered was an intercalation of aromatic compounds into stacked layers within the double helix of DNA molecules. We found that various optical dyes inserted into the double helix of DNA molecules rendered active optical waveguide materials with excellent nonlinear optical properties. Our research included the investigation of DNA for use as an optical waveguide material as well as intercalation of fluorescent dyes, photochromic dyes, nonlinear optic chromophores, two photon dyes and rare earth compounds into DNA for use as a nonlinear optical material.
Detection of DNA hybridization by a field‐effect transistor with covalently attached catcher molecules

Electronic DNA sensors based on field‐effect transistor (FET) arrays operating in liquid environments offer an alternative method for the detection of biomolecular binding events without the requirement to label the analyte molecules. In order to obtain reproducible signals from such sensors, the attachment of the probe molecules to the gate area of the transistor chips requires a well‐controlled supramolecular architecture. The FET chips used in this work are non‐metallized, 8‐channel transistor devices with micrometer dimensions of the gate structures, which are encapsulated to be dipped into an analyte solution. Two identical chips were functionalized with DNA catcher molecules of different sequences and read out in a differential measurement approach. In this article, we describe the details of the surface modification and covalent attachment of the catcher DNA. The surface modification was characterized by XPS, Fourier transform infrared spectroscopy (FT‐IR), fluorescence microscopy and imaging ellipsometry. Electrical FET recordings of the immobilization and hybridization of DNA molecules are presented. Copyright © 2006 John Wiley & Sons, Ltd.
Salt Species-Dependent Electrostatic Effects on ssDNA Elasticity

The interactions of charged, flexible polymers with counterions of various valencies is a fundamental unsolved problem of polyelectrolyte physics, with specific applications to structure formation by nucleic acids, including RNA folding and DNA nanotechnology. We recently showed that single-molecule measurements of the elasticity of a model polyelectrolyte, denatured single-stranded DNA (d-ssDNA), can reveal details of the polymer’s electrostatic interactions on multiple length scales. Here, we explore the effects of various salts on d-ssDNA elasticity. In agreement with our prior results in NaCl, we find that d-ssDNA elastic response in KCl, MgCl2, and CaCl2 shows a low-force Pincus regime, with a weaker response at higher forces. The data in KCl are quantitatively identical to prior NaCl data, reflecting the universality of monovalent salt electrostatics. In contrast, the behavior of d-ssDNA in divalent salt solutions shows subtantial quantitative differences, including a nonlogarithmic high-force behav.
NITROGEN ABSORPTION AND RESPIRATION IN WHITE AND BROWN PEACH ROOTS

The relationship between root age and root physiology is poorly understood, despite its importance for nutrient absorption. In peaches, roots are white when they first appear and then become brown with age, which corresponds to a number of physiological changes. We related root browning to nitrogen (N) absorption and respiration in order to provide a better understanding of how color changes as typically observed using minirhizotrons relate to changes in root physiology. The experiment was conducted on peach seedlings (Prunus persica cv. ‘Guardian’) grown in 30-L pots in a greenhouse. Brown roots showed lower respiration rates than white roots. White roots showed a higher 15N uptake than brown roots and higher concentration of N, potassium (K), magnesium (Mg), manganese (Mn), iron (Fe) and copper (Cu), no significant differences were observed regarding calcium (Ca), and zinc (Zn) concentration.
MICROWAVE VACUUM DRYING OF BANANA SLICES

ABSTRACT Vacuum drying of banana slices was studied in a domestic microwave oven. The results show that banana temperature rises uniformly and rapidly to the saturation water vapor temperature corresponding to the vacuum used then rises slowly until most of the free moisture is lost. The thermal and drying efficiencies were found to drop from almost 100% at the beginning of the drying (high moisture content) to as low as 40% and 30% respectively at the end of drying. Both efficiencies were found to increase with the use of vacuum, especially at low moisture content.
A general approach toward polymer-coated plasmonic nanostructures

We report a generic method for the preparation of polymer-coated plasmonic nanostructures with tunable thickness of the hydrophobic polymer spacer. By simply changing the order of addition of a block copolymer and water, encapsulation of either individual or assembled nanoparticles within copolymer micelles can be selected, thus providing wide versatility to the method.
Recovery of base metals from a sulphate-based bioleach solution using commercially available chelating ion exchange resins and adsorbents

Lonmin Plc. is currently investigating a hydrometallurgical process route for the recovery of base metals (BMs) and platinum group metals (PGMs) from a low grade PGM bearing ore originating from the Platreef deposit in the northern limb of the Bushveld Complex. The front-end of the ow sheet entails recovering the BM values from the ore in a heap bioleach carried out at a temperature of 65◦C after which the PGMs are recovered from the solid residue of the bioleach in a second stage heap cyanide leach (Mwase et al., 2012; Mwase, 2009). Commercially available chelating ion exchange resins and chelating adsorbents, Dow M4195 (bispicolylamine functionality), Dow XUS43605 (hydroxypropylpicolylamine functionality), Amberlite IRC748 and Purolite S930 (iminodiacetic acid functionality), and Purolite S991 (mixed amine and carboxylic functionality), were investigated in this thesis for the recovery of copper, nickel and cobalt (metals of interest, or MOI) from the bioleach solution. Screening tests indicated that Dow M4195 and Dow XUS43605 were able to selectively adsorb copper to the preference of all other metals in the solution at pH 3 and 4, while the other resins only succeeded in this purpose at pH 4 in the presence of little ferric iron. Only Dow M4195 proved to be able to selectively recover nickel over other metals in the solution at pH 4. Dow M4195, Dow XUS43605 and Amberlite IRC748 were selected for further investigation. Batch kinetic and equilibrium studies were performed on these resins and they were compared on the basis of their metals uptake rate and equilibrium concentrations of the MOI. The rate of metal uptake equilibrium attainment was found to be the fastest for Dow XUS43605, followed by Amberlite IRC748 and Dow M4195. Langmuir and Freundlich isotherm models were tted to equilibrium data for copper adsorption with Dow XUS43605 and nickel adsorption ii Stellenbosch University http://scholar.sun.ac.za
Ruthenium‐Catalyzed, One‐Pot Alcohol Oxidation–Wittig Reaction Producing α,β‐Unsaturated Esters

By a one-pot process, α,β-unsaturated esters were synthesized in high yield through the Ru-catalyzed oxidation of primary alcohols and the coupling of the resulting aldehydes and stabilized Wittig reagents. The ruthenium catalyst is composed of ruthenium nanoparticles embedded in aluminum oxyhydroxide and can be recovered simply by filtration or decantation. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Understanding the fast lithium storage performance of hydrogenated TiO2 nanoparticles

Anatase TiO2 is considered as one of the promising anode materials for lithium ion batteries (LIBs) because of its nontoxicity, safety, and excellent capacity retention. However, the poor rate capability of TiO2 electrodes, caused by the low electrical conductivity and lithium diffusion coefficient, strongly hinders its practical application in high power LIBs. Herein, we report on the fast lithium storage performance of hydrogenated anatase TiO2 nanoparticles (H-TiO2) prepared by a H2 plasma treatment. The scan-rate dependence of the cyclic voltammetry (CV) analysis reveals that the improved rate capability of H-TiO2 results from the enhanced contribution of pseudocapacitive lithium storage on the particle surface. Combined with the structural properties of H-TiO2, it is suggested that the disordered surface layers and Ti3+ species of H-TiO2 play an important role in the improvement of pseudocapacitive lithium storage. The results help to understand the fast lithium storage performance of H-TiO2 and might pave the way for further studies of other hydrogenated metal oxide electrodes for high power LIBs.
Structural Investigations and Thermal Behavior of (EMIm)[Cr(C2O4)2]·2H2O [1-Ethyl-3-methylimidazolium Chromium(III) Dioxalate Dihydrate]

The crystal structure of EMIm diaquobis(μ-oxalato)chromate(III) (1-ethyl-3-methylimidazolium chromium(III) dioxalate dihydrate) was determined from X-ray single crystal diffraction studies. A pale violet crystal of good optical quality was used for the structure determination at –100(2) and 25(2) °C. The basic crystallographic data for the low temperature structure are as follows: triclinic symmetry, space group P , a = 7.6202(8) A, b = 9.7668(9) A, c = 10.7171(11) A, α = 109.257(9)°, β = 90.494(8)°, γ = 105.685(8)°, V = 720.75(1) A3. The crystal structure was solved by direct methods and refined (using anisotropic displacement parameters for all non-hydrogen atoms) to a final residual of R1 = 0.039 for 2062 independent observed reflections [I > 2σ(I)]. The compound is built up from alternating layers parallel to (010) containing (EMIm)+ cations or Cr(C2O4)2(H2O)2– anions, respectively. The two crystallographically independent Cr(C2O4)2(H2O)2 octahedra reside on centers of symmetry (Wyckoff sites 1a and 1f). The corners of the octahedra consist of four oxygen atoms from two oxalate groups and two additional water molecules. EMIm+ cations provide linkage between different octahedral layers by hydrogen bridging. The water molecules in turn form hydrogen bonds with adjacent octahedra within the same layer. According to DTA/TG experiments the present compound shows several thermal processes in the range between room temperature and 1000 °C. However, pyrolysis is reproducibly yielding pure inorganic composites, qualifying this novel organic-inorganic hybrid salt also as a stable precursor for nanoscalar ceramic materials. The final product consists of a distinct mixture of Cr2O3 and Cr3C2 in the molar ratio of 1:1. Concomittant oxide and carbide formation is an unprecedented disintegration pathway of the thermal treatment of oxalatochromates without reducing atmosphere.
Determination of the Optimal Operation Mode of the Platinum Dehydrogenation Catalysts

The main results of thermodynamic analysis and mathematical simulation of the deactivation of a platinum dehydrogenation catalyst by coke-generating compounds are presented. Developed model allows calculating the optimal flow rate of water fed to the reactor to maintain the conditions of thermodynamic equilibrium of the coke formation reaction and oxidation of intermediate condensation products with water. A comparative evaluation of different raw cycles of platinum-dehydrogenation catalysts is presented and shown to cause reduced production of the desired product was the change the composition of the feedstock.
Characterization of dynamical emulsification process in concentrated conditions

Emulsification at constant shear rate in concentrated conditions (50% in volume fraction) is investigated experimentally by measuring simultaneously the droplet size and the global shear stress using a specially designed rheo-optical “Steady Light Transport” apparatus. The capillary number is varied by changing the continuous phase viscosity, corresponding to disperse to continuous phase viscosity ratios between 0.02 and 2. We show that when the capillary number is large enough (>0.35), emulsification occurs. At constant shear rate, this time-dependant process can be separated into four steps: (1) flow start-up, (2) premix formation, (3) a progressive reduction in droplet size, associated with an increase in shear stress, (4) changes in droplet size and shear stress stop at a well-defined emulsification time. Step (3), called dynamical emulsification, is fully controlled by the critical capillary number and the mechanism of drop size reduction stops when viscous dissipation dominates the droplet elongation and break-up mechanism. This approach accurately describes both the variation in shear stress with droplet size during Stage (3) and the final state of the emulsion in terms of droplet size and viscosity. © 2007 American Institute of Chemical Engineers AIChE J, 2007
Fluvastatin-Pretreated Donor Cells Attenuated Murine aGVHD by Balancing Effector T Cell Distribution and Function under the Regulation of KLF2

Prevention of acute graft-versus-host disease (aGVHD) after allogeneic hematopoietic stem cell transplantation (allo-HSCT) is still to be explored. Statins are potent immunomodulatory agents that hold promise as novel and safe agents for aGVHD prophylaxis, yet the controversial effect and regulatory mechanism are incompletely understood. Here, in an MHC mismatched murine model, we found that Fluvastatin-pretreated donor cells could attenuate aGVHD severity by remission tissue pathological injury. Fluvastatin served to restrain effector T cells entry into aGVHD target organs from secondary lymphoid organs (SLOs). The potential mechanism of correcting the effector T cell biased distribution was that Fluvastatin elevated CD62L and CCR7 expression while decreased CXCR3 and CD44 levels, which were correlated with Kruppel-like factor 2 (KLF2) sustention in donor-derived cells. In addition, Fluvastatin was contributed to reducing cytokines IFN-γ, TNF-α, and granzyme-B production in allogeneic effector CD4+ and CD8+ T cells. Furthermore, evidence confirmed that Fluvastatin had a long-lasting effect to sustain KLF2 expression both in vitro and in vivo even under the stimulated circumstance. In conclusion, administration of Fluvastatin to donor mice showed protective effects against recipient aGVHD when compared to untreated mice due to the retention of effector T cells in lymphoid organs accompanying with reduction of nonlymphatic infiltration and related inflammatory cytokines.
Multiply Colored Electrochromic Carbazole-Based Polymers

We report the synthesis and electrochemical polymerization of a series of bisheterocycle-N-substituted carbazoles. These monomers exhibit low peak oxidation potentials (Ep,m) which range from 0.15 to 0.46 V vs Ag/Ag+, indicating facile polymerization. Repeated scan electrochemical polymerization for these monomers proceeds rapidly, relative to carbazole, to form stable electroactive films. Cyclic voltammetry of the polymers indicates that the films are well adhered to the electrode surface and that each of the polymers possess two distinct redox waves. At applied potentials greater than 1.15 V, a third irreversible oxidative process is observed, presumedly due to cross-linking. Optoelectrochemical analysis indicates that these polymers have an electronic bandgap (measured as the onset of the π-to-π* transition) between 2.4 and 2.5 eV. Three distinct colors are achievable by varying the redox state of the polymers suggesting potential use for multiply colored electrochromic displays. For the series of bis(.