Miracle-dz/UniFAR-FTUs huggingface dataset:
A DFT Study on Structural, Electronic and Optical Properties of La and N co-doped BaTiO3

In recent years, BaTiO3has garnered significant attention in research due to its remarkable ability to photocatalytic hydrogen generation. While the fundamental principles, particularly at the molecular level, remain poorly understood, the majority of studies have concentrated on experimental techniques to increase its photocatalytic effectiveness. Our focus in this study is to explore the electronic and optical properties the electronic and optical properties of La+N co-doped BaTiO3perovskite. A structure of La and N doped BaTiO3 was built, and it was then optimized in CASTEP using the GGA-PBE functional with a cutoff energy of 500 eV. Subsequently, the geometric optimization parameters, electronic structure, and optical properties were computed. According to our research, co-doped BaTiO3with La+N produces an intermediate state that efficiently lowers the band gap to 1.661 eV. This intermediate state acts as a “springboard” by reducing the energy of the electron transition. The DOS diagram further reveals that the hybridization of N-2p and O-2p is the primary cause of the intermediate state. Additionally, our analysis of the optical characteristics shows that La+N co-doping causes a new absorption peak to appear at 450 nm and extends the absorption edge of BaTiO3into the visible spectrum. Overall, our work offers theoretical support for the future investigation of the photophysical properties of BaTiO3perovskite doped with rare earth elements and non-metallic elements.
Study of combined effects of sediment rheology and basement focusing in an unbounded viscoelastic medium using P-SV-wave finite-difference modelling

This paper consists of two parts. First, a fourth-order-accurate staggered-grid finite-difference (FD) program for simulation of P-SV-wave in viscoelastic medium is presented. The incorporated realistic damping is based on GMB-EK-model. The accuracy of program is validated by comparing computed phase-velocity and quality-factors with same based on GMB-EK-model and Futterman’s relations. The second part of paper presents the combined effects of sediment damping and synclinal basement focusing (SBT) on ground motion. The results reveal SBT focusing, mode conversion and diffraction of incident waves. The response of elastic SBT model reveals an increase of spectral amplification with increasing frequency. The viscoelastic response of SBT model reveals that a particular frequency may get largest amplification for a particular set of values for damping, focal-length and distance from tip of the SBT. This frequency-dependent amplification may explain mysterious damage reported in some past earthquakes if predominantly amplified frequency matches natural frequency of damaged structures.
THE ROLE OF ARSENIC-RICH MELTS AND MINERAL PHASES IN THE DEVELOPMENT OF HIGH-GRADE Pt-Pd MINERALIZATION WITHIN KOMATIITE-ASSOCIATED MAGMATIC Ni-Cu SULFIDE HORIZONS AT DUNDONALD BEACH SOUTH, ABITIBI SUBPROVINCE, ONTARIO, CANADA

At the Dundonald Beach South Ni-Cu occurrence in the western Abitibi subprovince, Ontario, Canada, komatiite-hosted magmatic sulfide mineralization (pentlandite-dominated; 0.5–7 ppm Pt + Pd) contains millimeter- to centimeter-size blebs of polycrystalline gersdorffite and nickeline. The gersdorffite-nickeline blebs are concentrated (~6 vol %) in a 10- to 20-cm-thick by 10-m-long lens that occurs at the base of a massive sulfide horizon. The lens is significantly more enriched in Pt and Pd (15–50 ppm Pt + Pd) than typical sulfide horizons in which sulfarsenide and arsenide phases occur only as trace to minor (up to 0.15 vol %) constituents. In the platinum group element (PGE)-rich lens, ~29 and ~74 percent of the bulk rock Pd and Pt, respectively, are dissolved in the sulfarsenide and arsenide minerals. Almost all the remaining Pd and Pt in the lens occur in inclusions of sperrylite, michenerite (PdBiTe), and an unidentified Pd-Bi-Te phase coexisting with inclusions of tellurobismuthite (Bi 2 Te 3 ), altaite (PbTe), and electrum that fill former open spaces (vugs) in gersdorffite and nickeline. In the surrounding sulfide mineralization, PGE mineral inclusions are 4 to 10 times less abundant, and the bulk PGE grade is an order of magnitude lower. Overall, PGE grade on a deposit scale may be controlled by the abundance of gersdorffite and nickeline. Even in minor abundances (e.g., ~1 wt %), sulfarsenide and arsenide minerals may produce economically favorable bulk PGE grades if dispersed throughout barren (PGE-poor) sulfide horizons. The PGE-rich lens may represent the accumulation of either crystallized droplets of an immiscible sulfarsenide melt phase or sulfarsenide phenocrysts that separated from a silicate or sulfide liquid. Arsenic-rich melt or mineral phases extracted (partitioned) the trace metals Pt, Pd, Au, Bi, Te, Sb, Pb, Zn, Ag, and Sn from non–As-bearing phases (silicate liquid, Fe-Ni-Cu sulfide liquid, or monosulfide solid solution [mss]) with inferred values of D As-phase/sulfide on the order of ~10 to 100. Textural, mineralogical, and geochemical observations highlight the importance of As-rich liquids or mineral phases as scavengers of the PGE and other chalcophile metals in komatiite-associated magmatic sulfide environments as well as the potential for high-grade PGE mineralization to occur where komatiites were contaminated by As-rich sediments or metasedimentary rocks.
On postglacial geoid subsidence over the equatorial oceans

We develop two new spectral formalisms for the gravitationally self-consistent solution of the “sea level equation” which governs the redistribution of glacial meltwater on a visco-elastic Earth. The first is a purely spectral technique based on an extension of theory outlined by Dahlen (1976) for determining the equilibrium oceanic tide on an elastic planet. Using this technique, with a feasible spherical harmonic truncation level (l ≤ 30), we can obtain convergence in the computed sea level variations within the degree range l ≤ 10. We also develop a second, “pseudospectral” technique, however, which permits the construction of gravitationally self-consistent solutions to much higher degree and order (l ≫ 100). The pseudospectral formalism is employed here to develop a comprehensive physical explanation for the global pattern of present-day sea level variations due to ongoing glacial isostatic adjustment. In particular, we focus upon a mechanism, which we term “equatorial ocean syphoning,” that acts to draw water toward the oceanic portion of the collapsing peripheral bulge that encircles previously glaciated regions. The collapse of the forebulge induces a flow of water which is required to maintain hydrostatic equilibrium. The syphoning mechanism dominates the relative sea level (RSL) variation in oceans in the far field of the ice sheets (that is, beyond the peripheral bulge) during periods, such as the interglacial of the past 4000 years, during which the volume of the ice sheets has not (apparently) changed appreciably, while, at the same time, isostatic adjustment persists. The RSL change in the near field is, in contrast, dominated by the (local) vertical displacement of the solid surface. Finally, comparison of gravitationally self-consistent predictions of RSL change in the far field, with the observational data at small Pacific island sites, has provided an upper bound of 1 to 2 m for the eustatic sea level rise produced by any recent (last 3000 years) melting of the Antarctic ice sheet.
Inter-comparison of hydrological model simulations with time series of SAR-derived soil moisture maps

Abstract A comparison between superficial soil moisture content, m, values predicted by the DREAM hydrologic model and those retrieved from time-series of ALOS/PALSAR and COSMO-SkyMed SAR data acquired in 2007 and 2010–2011 is presented. The area investigated is part of the Celone at Ponte Foggia-S. Severo river basin, which is a tributary of the Candelaro river, downstream of the S. Giusto Dam, in Puglia (Southern Italy). Results show a good agreement in terms of bias and rmse between the hydrologic modeled and SAR-retrieved mv-values, and open new opportunities for the use of SAR-derived mv-values to calibrate/validate hydrologic models in semi-arid areas.
Study of Site Effects in Kobe Area Using Microtremors

The study of site effects during strong ground motion can be made by various methods. The use of measured microtremors for the study of site effects is based on the principle that microtremors propagate in the ground and are amplified at periods which are synchronous with the predominant period of the site due to features of selective resonance. After the pioneering works of Kanai and Tanaka (Kanai et al., 1954; Kanai and Tanaka, 1961; Tanaka et al., 1968) a lot of effort has been made to apply microtremors for site effect studies (Katz, 1976; Katz and Bellon, 1978; Ohta et al., 1978; Kagami et al., 1982, 1986; Kobayashi et al., 1986a, b; Seo et al., 1991; Seo and Samano, 1992; Nakamura, 1989). Some of the above works concentrated on shortperiod microtremors while others used long-period microtremors. Most of them interpreted microtremors by making a Fourier analysis and computing spectral ratio taken at different sites by normalizing over a reference point. Nakamura (1989) used the spectral ratio between the horizontal and vertical components to indicate site transfer function by assuming the vertical component at ground surface as a substitute of the horizontal component at the basement. In a wide sense, the findings of the above works can be generalized as follows: period distribution and spectral shapes of microtremors follow a definite pattern for a particular site and resemble the strong ground motion at that given site. But this conclusion has the following significant limitations. 1) Microtremors operate at a very low strain level as compared to strong ground motion, which results in higher strain levels inducing non-linearity. 2) The effect of source on microtremors is significant. Shortperiod microtremors less than 1 s in length are substantially affected by direct sources like traffic noise, while longer-period microtremors are affected by environmental conditions like atmospheric pressure and ocean waves. Removing the effects of these sources is not so direct. 3) Microtremors are more difficult to apply when the subsurface formation is complicated. Irrespective of these short comings, microtremors show site-dependent variations when measured and interpreted carefully. Besides, microtremors have an advantage over other methods used for site effect studies because of simplicity, ease of use, low cost, and the shorter time required for
Characterizing Reef Net Metabolism Via the Diel Co‐Variation of pH and Dissolved Oxygen From High Resolution in Situ Sensors

Coral reefs are subject to degradation by multiple environmental stressors which are predicted to intensify. Stress can alter ecosystem composition, with shifts from hard coral to macroalgae dominated reefs often accompanied by an increase in soft corals and sponges. Such changes may alter net ecosystem metabolism and biogeochemistry by shifting the balance between photosynthesis, respiration, calcification and dissolution. We deployed high temporal resolution pH and dissolved oxygen (DO) sensors at four Caribbean reef sites with varying covers of hard and soft corals, sponges and macroalgae. The resultant data indicated that the strength of the “metabolic pulse”, specifically the co‐variation in daily pH and DO oscillations, was driven by the net balance of light ‐dependent and ‐independent metabolism. pH and DO were positively correlated over the diel cycle at coral dominated sites, suggesting that photosynthesis and respiration were the major controlling processes, and further indicated by agreement with a simple production:respiration model. Whereas, at a site with high macroalgal cover, pH and DO decoupling was observed during daylight hours. This indicates that an unidentified light‐driven process altered the expected pH:DO relationship. We hypothesize that this could be mediated by the higher levels of macroalgae, which either stimulated bacterial‐mediated carbonate dissolution via the production and release of allelopathic compounds or retained oxygen, evolved during photosynthesis, in the gaseous form in seawater (ebullition). Our work demonstrates that high resolution monitoring of pH and DO provides insight into coral reef biogeochemical functioning and can be key for understanding long‐term changes in coral reef metabolism.
How the magnetopause transition parameter works

The transition parameter is based on the electron characteristics close to the Earth's dayside magnetopause, but reveals systematic ordering of other, independent, data such as the ion flow, density and temperature and the rientation and strength of the magnetic field. Potentially, therefore, it is a very useful tool for resolving ambiguities in a sequence of satellite data caused by the effects of structure and motion of the boundary; however, its application has been limited because there has been no clear understanding of how it works. We present an analysis of data from the AMPTE‐UKS satellite which shows that the transition parameter orders magnetopause data because magnetic reconnection generates newly‐opened field lines which coat the boundary: a direct relationship is found with the time elapsed since the boundary‐layer field line was opened. A simple model is used to reproduce this behaviour.
HYDROCARBON POTENTIAL OF MIDDLE JURASSIC COALY AND LACUSTRINE AND UPPER JURASSIC – LOWERMOST CRETACEOUS MARINE SOURCE ROCKS IN THE SØGNE BASIN, NORTH SEA

The Søgne Basin in the Danish‐Norwegian Central Graben is unique in the North Sea because it has been proven to contain commercial volumes of hydrocarbons derived only from Middle Jurassic coaly source rocks. Exploration here relies on the identification of good quality, mature Middle Jurassic coaly and lacustrine source rocks and Upper Jurassic – lowermost Cretaceous marine source rocks. The present study examines source rock data from almost 900 Middle Jurassic and Upper Jurassic – lowermost Cretaceous samples from 21 wells together with 286 vitrinite reflectance data from 14 wells. The kerogen composition and kinetics for bulk petroleum formation of three Middle Jurassic lacustrine samples were also determined.
Lava Temperatures in the 1959 Kilauea Eruption and Cooling Lake

The 1959 summit eruption of Kilauea Volcano, Hawaii, filled the crater of Kilauea Iki with a lake of lava 365 feet deep. Temperatures of the erupting basalt ranged between 1060° and 1190°C. Temperatures down a 12.7-foot-deep hole, drilled into the crust of the lake 5 months after cessation of eruptive activity, agree with calculated temperatures based on the heat equation. The cooling effect of rainfall is pronounced only in the upper 3½ feet of the crust.
Land-Use Conversion Effects on Phosphate Sorption Characteristics in Soils of Forest and Rangeland Sites from Zagros Area, Western Iran

This study was performed to assess the effects of clearing and cultivation on phosphate sorption kinetics and equilibria as well as phosphate buffering behavior of soils in forest and rangelands from Zagros area, western Iran. Total phosphorus and its organic and inorganic fractions were also determined for the soils according to reference methods. The results showed that clearing and cultivation practices caused a significant increase in soil total and total inorganic phosphorus in the forest soils, but a decrease was observed in the rangeland study area. The concentration of soil organic phosphorus, however, decreased in both forest and rangeland soils after long-term cultivation. Phosphate sorption behavior of the soils was also affected by the land-use changes. The time-dependent sorption data for soils of both protected and disturbed sites were adequately fitted by Power function, Elovich and Parabolic diffusion equations. Kinetic parameters related to rate of phosphate sorption including “specific sorption rate at unit time” and “apparent diffusion coefficient” derived from the models were markedly increased after the land-use conversion. The equilibrium-based phosphate sorption on the soils was significantly described by Langmuir and Freundlich isotherms. Sorption capacity and buffering indices of phosphate, calculated from the isothermal equations, also increased in the cultivated soils as compared to the corresponding soils of the protected sites. The results demonstrated that land-use conversion from natural forest and rangeland to agriculture could significantly influence the distribution and sorption of phosphate in the studied soils which should be considered in sustainable land management in the Zagros area.
Artistic Line Drawing Rendering With Priors of Depth and Edge Density

Line drawing is a form of painting that uses lines as expressive elements and often employs the combination of abstraction and figuration (CAF) technique to enhance artistic expression. However, existing methods tend to focus on generating semantically accurate line drawings, resulting in lackluster images. We observe that by varying the details of lines in the drawing, it is possible to represent the CAF technique and enhance the artistic effect of the line drawing more effectively. Therefore, we propose an optimization method for line drawing rendering based on prior knowledge of depth and edge density, which adaptively adjusts the line details of input images using double estimation. Our method allows generated line drawings to maintain correct semantic information while keeping consistent background structure contours and rich foreground details. The experiments show that compared to existing line drawing generation methods, our algorithm can generate line drawings that are more aesthetically pleasing to human perception.
RIS Aided Cell-Free Massive MIMO System with Wireless Fronthaul

Cell-free (CF) massive multiple input multiple output (MIMO) system exhibits great potential in terms of achievable rate and coverage, however, the high infrastructure construction cost of CF system makes it difficult to deploy on wireless communication devices. To this end, the wireless fronthaul based CF system is considered. Motivated by the benefit of overcoming “multiplicative fading” and low hardware cost, an active reconfigurable intelligent surface (ARIS) aided CF massive MIMO system with wireless fronthaul is proposed, in which part of access point (AP) is replaced by ARIS and each AP works in dual-band to guarantee high data rate of fronthaul. The feasibility of replacing AP with ARIS is demonstrated. Then, a problem of maximizing the minimum (max-min) user achievable rate is formulated and a joint precoding and discrete ARIS phase design algorithm with low computation complexity is provided. Finally, simulation results verify that the proposed ARIS-aided CF system can enhance the minimum user achievable rate with more flexible wireless fronthaul.
Laterally modulated excitation microscopy: improvement of resolution by using a diffraction grating

High spatial frequencies in the illuminating light of microscopes lead to a shift of the object spatial frequencies detectable through the objective lens. If a suitable procedure is found for evaluation of the measured data, a microscopic image with a higher resolution than under flat illumination can be obtained. A simple method for generation of a laterally modulated illumination pattern is discussed here. A specially constructed diffraction grating was inserted in the illumination beam path at the conjugate object plane (position of the adjustable aperture) and projected through the objective into the object. Microscopic beads were imaged with this method and evaluated with an algorithm based on the structure of the Fourier space. The results indicate an improvement of resolution.
The circumpolar active layer monitoring (calm) program: Research designs and initial results

Abstract The Circumpolar Active Layer Monitoring (CALM) program, designed to observe the response of the active layer and near‐surface permafrost to climate change, currently incorporates more than 100 sites involving 15 investigating countries in both hemispheres. In general, the active layer responds consistently to forcing by air temperature on an interannual basis. The relatively few long‐term data sets available from northern high‐latitude sites demonstrate substantial interannual and interdecadal fluctuations. Increased thaw penetration, thaw subsidence, and development of thermokarst are observed at some sites, indicating degradation of warmer permafrost. During the mid‐ to late‐1990s, sites in Alaska and northwestern Canada experienced maximum thaw depth in 1998 and a minimum in 2000; these values are consistent with the warmest and coolest summers. The CALM network is part of the World Meteorological Organization's (WMO) Global Terrestrial Network for Permafrost (GTN‐P). GTN‐P observations consist of both the active layer measurements and the permafrost thermal state measured in boreholes. The CALM program requires additional multi‐decadal observations. Sites in the Antarctic and elsewhere in the Southern Hemisphere are presently being added to the bipolar network.
Stratocumulus processing of gases and cloud condensation nuclei: 1. Trajectory ensemble model

Aqueous-phase processing of gases and of the cloud condensation nucleus (CCN) spectrum is addressed using a trajectory ensemble model. We first derive a set of boundary layer parcel trajectories from a large-eddy simulation model (LES) and then use this trajectory set for subsequent cloud microphysical/chemical studies. We explore this approach in the stratocumulus-capped marine boundary layer and show examples of aqueous-phase processing of gases and CCN. The microphysical model is a Lagrangian parcel model that is driven by the thermodynamic and kinematic fields produced by the LES and calculates CCN deliquescence and droplet growth by condensation on a moving mass grid. It is coupled with a sulfate chemistry model that treats oxidation of S(IV) to S(VI) via ozone and hydrogen peroxide for a size-resolved droplet spectrum. The model reproduces the observed (and previously modeled) aqueous processing of particles that leads to growth of CCN and lowering of their critical supersaturations. Results show that important information on parcel in-cloud residence times and boundary layer mixing timescales can be gleaned from this approach. By averaging the results of 500 parcel trajectories, a more representative picture of CCN and gas processing is obtained compared with that derived from a single parcel simulation representing average conditions. Finally, processed CCN spectra are used as input to a coupled microphysical/dynamical cloud-resolving model, and it is suggested that cloud processing may either enhance or suppress drizzle formation, depending on the concentration and sizes of the CCN.
Investigating Piecewise Linear Energy Storage Models for Optimization in Power Systems

Energy storage systems (ESSs) are increasingly used in power system optimization by deriving different ESS mathematical models. The most widely-used model is the piecewise linear ESS model which utilizes non-convex constraints to represent the ESS power losses, resulting in challenging optimization problems. To reduce the problem complexity, convex relaxation models are often derived but may compromise the solution quality of the underlying problems. This work investigates the exact and relaxed versions of three different mathematical representations of the piecewise linear ESS model, in terms of their solution quality and execution efficiency. Towards this direction, the three ESS models are incorporated into the unit commitment problem which often violates the ESS relaxation exactness under ramping constraints. Simulation results present (a) the execution times of the exact and relaxed ESS models and (b) the optimality gap of the relaxed models when the relaxation exactness is violated.