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We introduce CRYSTAL, a multi-agent AI system for crystal-structure phase mapping. CRYSTAL is the first system that can automatically generate a portfolio of physically meaningful phase diagrams for expert-user exploration and selection. CRYSTAL outperforms previous methods to solve the example Pd-Rh-Ta phase diagram, enabling the discovery of a mixed-intermetallic methanol oxidation electrocatalyst. The integration of multiple data-knowledge sources and learning and reasoning algorithms, combined with the exploitation of problem decompositions, relaxations, and parallelism, empowers AI to supersede human scientific data interpretation capabilities and enable otherwise inaccessible scientific discovery in materials science and beyond.
Precious metals represent some of the least abundant elements in the earth’s crust. There is an urgent need to maximize the utilization efficiency of these metals and thereby attain affordable and sustainable products. One approach for achieving this goal is based on the development of hollow nanocrystals with a well-controlled surface structure, together with a wall thickness kept below 2 nm, or roughly 10 layers of atoms. The hollow structure eliminates the waste of interior atoms and creates an inner surface, while the controllable surface structures contribute to the optimization of catalytic activity and selectivity. In this article, we begin with a brief introduction to two methods that have been developed for the synthesis of hollow nanocrystals: the first relying on the galvanic replacement with a sacrificial template, and the second involving layer-by-layer deposition of metal atoms followed by etching. We then showcase some remarkable properties and applications of this novel class of nanostructures, including their use as effective catalysts for energy conversion, photoresponsive carriers for controlled release and drug delivery, and theranostic agents. A discussion of the existing barriers to their commercialization is also presented.
The Lower Devonian Posongchong Formation (Wenshan, Yunnan Province, southwestern China) consists of a series of continental deposits with an outstanding plant megafossil diversity. More than 20 years ago, this formation was interpreted as ‘Siegenian' (∼Pragian) in age based on palynology. However, such interpretation needs further evidence because of the known differences between the dispersed spore assemblages from South China and Euramerica/northwestern Gondwana. Here, we present new dispersed spore assemblages recently recovered from the Posongchong Formation. The isolated spore diversity is highly diverse, with 18 genera and 32 species. The recognised taxa include, among others, Ambitisporites avitus, Aneurospora conica, Aneurospora posongchongensis sp. nov., Aneurospora xujiachongensis, Apiculiretusispora plicata, Archaeozonotriletes chulus, Concentricosisporites agradabilis, Dibolisporites echinaceus, Emphanisporites rotatus, Gneudnaspora divellomedia, Latosporites ovalis, Retusotriletes triangulatus, Tetrahedraletes medinensis and Verrucosporites polygonalis, with Aneurospora and Retusotriletes being the most abundant forms. The known Posongchong palynoflora (previous spore data included) suggests that the Posongchong Formation assemblages can be correlated with the Pragian interval of the polygonalis–wetteldorfensis Oppel Zone (PoW). This age determination is supported by the presence of index species of PoW, such as Verrucosporites polygonalis, Dictyotriletes subgranifer and Camarozonotriletes parvus (sensu Steemans, 1989), the latter being known only from the Pragian of Belgium and Germany. Recent advances in the study of the marine faunas in the overlying sequences also indicate a Pragian age for the Posongchong Formation. This new investigation of the Posongchong palynoflora highlights differences of abundance at species level between the Gondwanan–Laurussian floras during the Early Devonian.
More than 200 molecular clouds were newly found distributed beyond the Outer arm in the extreme outer Galaxy (EOG) region by MWISP. Those MCs roughly following the HI′s distribution well delineate the outermost spiral structure (the Outer Scutum-Centaurus arm) and warp of our Galaxy. Besides, those MCs show different σv-Radius relation and exhibit higher value of αvir than MCs in the inner Galaxy.
Studying the polarised properties of pulsars has a rich history giving unique geometric information about pulsars as well as testing the theories of pulsar emission physics. Performing such studies with the MWA has the attraction that the percentage of linear polarisation of many pulsars increases as the observing frequency decreases. Here we discuss the strategies being employed to verify the polarimetric response of the MWA’s high time resolution data.
Diarrhea is a common cause of morbidity and mortality and the incidence of diarrhea in the world has changed little over the past four decades. To assess the prevalence of and healthcare practices for diarrhea, a cross-sectional study was conducted in Pudong, Shanghai, China. In October 2014, a total of 5324 community residents were interviewed. Respondents were asked if they had experienced diarrhea (defined as ⩾3 passages of watery, loose, bloody, or mucoid stools within a 24-h period) in the previous month prior to the interview. The monthly prevalence of diarrhea was 4·1% (95% CI: 3·3–4·8), corresponding to an incidence rate of 0·54 episodes per person-year. The proportion of individuals with diarrhea who sought healthcare was 21·2% (95% CI: 13·4–29·0). Diarrhea continues to impose a considerable burden on the community and healthcare system in Pudong. Young age and travel were identified as predictors of increased diarrhea occurrence.
Optimal nitrogen (N) management for maize in the film-mulched production systems that are widely used in dryland agriculture is difficult because top-dressing N is impractical. The current research determined how matching N supply and demand was achieved before and after silking stages, when single applications of controlled release urea (CRU) were combined with conventional urea in film-mulched maize production. The CRU: urea mixture was applied in a 1 : 2 or 2 : 1 ratio and all three fertilizer regimes (urea alone and CRU: urea at 1 : 2 or 2 : 1) were applied at N rates of 180 and 240 kg/ha over 2 years. The 1 : 2 CRU: urea mixture, applied once at 180 kg N/ha, was found to synchronize N supply with demand, thereby reducing N losses. The highest grain yields (11·8–12·0 t/ha), N uptake (232–239 kg/ha), N recovery (65·8–67·7%) and high net economic return were achieved with this regime. These results indicate that a single application of a mixture of CRU and urea can synchronize N supply with demand and provide higher yields and profits than conventional N fertilization in film-mulched maize systems.
In order to better understand the chemical conditions and evolutionary properties of massive star-forming regions, and to explore the physical and chemical behavior of simple hydrocarbon molecules, we have used telescopes such as CSO, JCMT, CARMA and SMA, to map the multi-transitions of C2H and HC3N. The column densities and abundances are compared with chemical models to gain some diagnostic of the environment of the regions.
The Sun drives most events of space weather in the vicinity of the Earth. Because the activities of the Sun are complicated, a visualized chart with key objects of solar activities is needed for space weather forecast. This work investigates the key objects in research during the past forty years and surveys a variety of solar observational data. We design the solar synoptic chart (SSC) that covers the key objects of solar activities, i.e., active regions, coronal holes, filaments/prominences, flares and coronal mass ejections, and synthesizes images from different heights and temperatures of solar atmosphere. The SSC is used to analyze the condition of the Sun in March 2012 and October 2014 as examples. The result shows that the SSC is timely, comprehensive, concise and easy to understand. It has the potentiality for space weather forecast and can help in improving the public education.
Post-flare loops (PFLs) usually appear in the late phase of eruptive flares as an arcade-like loop system. The Atmospheric Imaging Assembly (AIA) on-board the Solar Dynamics Observatory (SDO) delivers continuously high temporal and spatial resolution extreme ultraviolet (EUV) observations, providing a unique chance to study the PFLs. In this work, we use SDO/AIA high-quality EUV images to study the dark loop-like features in post-flare loops (DPFLs) of an X5.4 flare. Our analysis shows that: 1) the DPFLs are darker than their surrounding and the bright loops, but are brighter than the EUV background; 2) the DPFLs appear in multiple EUV channels, which indicates that they are absorption features; 3) the DPFLs are associated with downflows that are caused by the thermal instability in the cooling process of the flare.
In this paper we present fast response processes in dye doped liquid crystal cell with ZnSe layers on electrodes. Two-wave mixing and grating monitoring experiments were performed to characterize this liquid crystal system. With the help of photoconductive layers, the response time was reduced to a few milliseconds, which improved further the response rate in liquid crystal photorefractive system. A peak in response time versus applied voltage and unexpected oscillations in diffraction efficiency dynamics were observed, which implies unconventionally complex charge dynamics associated with SPPs excited at one of the photoconductive layer/liquid crystal interfaces.
A multi-component, multiple-relaxation-time (MRT) lattice Boltzmann (LB) model has been employed to study transport processes in the nanostructured cathode catalyst layer of a prototype proton exchange membrane (PEM) fuel cell. The electrode consists of an array of ordered and aligned nanorods that are continuously coated with platinum (Pt). The effect of spacing between the nanorods was studied. Simulation results showed that smaller spacing in nanorods leads to lower utilization of the Pt catalyst due to O2 mass transport limitations. Results from the LB model were found to be in good agreement with the continuum model using the finite element method (FEM) with the same boundary conditions until the systems reached the O2 mass transport limited regions, where the solutions diverged.
Preliminary geological work on samples from Davdar in China indicate that emerald occurs in quartz veins hosted within upper greenschist grade Permian metasedimentary rocks including quartzite, marble, phyllite and schist. Fluid inclusion studies indicate highly saline fluids ranging from approximately 34 to 41 wt.% NaCl equivalent, with minimal amounts of CO2 estimated at a mole fraction of 0.003. Fluid inclusion, stable isotope and petrographic studies indicate the Davdar emeralds crystallized from highly saline brines in greenschist facies conditions at a temperature of ∼350°C and a pressure of up to 160 MPa. The highly saline fluid inclusions in the emeralds, the trace-element chemistry and stable isotope signatures indicate that the Davdar emeralds have some similarities to the Khaltaro and Swat Valley emerald deposits in Pakistan, but they show the greatest similarity to neighbouring deposits at Panjshir in Afghanistan.
Although central venous catheter (CVC) dwell time is a major risk factor for catheter-related bloodstream infections (CR-BSIs), few studies reveal how often CVCs are retained when not needed (“idle”). We describe use patterns for temporary CVCs, including peripherally inserted central catheters (PICCs), on non-ICU wards.
A retrospective observational study.
A 579-bed acute care, academic tertiary care facility.
A retrospective observational study of a random sample of patients on hospital wards who have a temporary, nonimplanted CVC, with a focus on on daily ward CVC justification. A uniform definition of idle CVC-days was used.
We analyzed 89 patients with 146 CVCs (56% of which were PICCs); of 1,433 ward CVC-days, 361 (25.2%) were idle. At least 1 idle day was observed for 63% of patients. Patients had a mean of 4.1 idle days and a mean of 3.4 days with both a CVC and a peripheral intravenous catheter (PIV). After adjusting for ward length of stay, mean CVC dwell time was 14.4 days for patients with PICCs versus 9.0 days for patients with non-PICC temporary CVCs (other CVCs; P< .001). Patients with a PICC had 5.4 days in which they also had a PIV, compared with 10 days in other CVC patients (P< .001). Patients with PICCs had more days in which the only justification for the CVC was intravenous administration of antimicrobial agents (8.5 vs 1.6 days; P = .0013).
Significant proportions of ward CVC-days were unjustified. Reducing “idle CVC-days” and facilitating the appropriate use of PIVs may reduce CVC-days and CR-BSI risk.
This study examined whether participation in a variety of lifestyle activities was comparable to frequent participation in cognitively challenging activities in mitigating impairments in cognitive abilities susceptible to aging in healthy, community-dwelling older women. Frequencies of participation in various lifestyle activities on the Lifestyle Activities Questionnaire (LAQ) were divided according to high (e.g., reading), moderate (e.g., discussing politics), and low (e.g., watching television) cognitive demand. We also considered the utility of participation in a variety of lifestyle activities regardless of cognitive challenge. Immediate and delayed verbal recall, psychomotor speed, and executive function were each measured at baseline and at five successive exams, spanning a 9.5-year interval. Greater variety of participation in activities, regardless of cognitive challenge, was associated with an 8 to 11% reduction in the risk of impairment in verbal memory and global cognitive outcomes. Participation in a variety of lifestyle activities was more predictive than frequency or level of cognitive challenge for significant reductions in risk of incident impairment on measures sensitive to cognitive aging and risk for dementia. Our findings offer new perspectives in promoting a diverse repertoire of activities to mitigate age-related cognitive declines. (JINS, 2012, 18, 286–294)
The defects associated with the implantation and diffusion of boron in silicon carbide have been studied using secondary ion mass spectrometry (SIMS) and photoluminescence (PL) imaging and spectroscopy. An n-type epitaxial SiC (1000) substrate was implanted with 2×1014 atoms/cm2 B and annealed to 1700°C. PL data was acquired before and after annealing, and following removal of various thicknesses of the sample by mechanical polishing. Thermal annealing generated a B diffusion profile measured by SIMS to extend to about 3 microns depth. After removing the diffused B layer, a PL spectral feature at 415nm disappeared, which is consistent with its previous identification as arising from donor-acceptor pairs (DAP). The D1 spectral features survived polishing, supporting previous suggestions that these features are intrinsic defects due to the di-interstitial (Ic-Ic or Isi-Isi) or di-vacancy (Vc-Vc or Vsi-Vsi) defects.
Applying ab initio calculation and molecular dynamics simulation methods, we have been calculating and predicting the essential phase transition and self-assembly of two lower diamondoids (adamantane and diamantane), three of their important derivatives (amantadine, memantine and rimantadine), and two organometallic molecules that are built by substituting one hydrogen ion with one sodium ion in both adamantane and diamantine molecules (ADM•Na and Optimized DIM•Na). To study their self-assembly and phase transition behaviors, we built seven different MD simulation systems, and each system consisting of 125 molecules. We obtained self-assembly structures and simulation trajectories for the seven molecules. Radial distribution function studies showed clear phase transitions for the seven molecules. Higher aggregation temperatures were observed for diamondoid derivatives. We also studied the density dependence of the phase transition which demonstrates that the higher the density - the higher the phase transition points.
Dimensional cross-over behavior of Anderson localization is presented. By delineating the physical basis of localization, it is shown that the localization phenomenon is sensitive to the spatial dimension of the randomness. Analytic and numerical results demonstrate that in an anisotropically random medium there is a critical amount of anisotropy which separates the system behavior into a ID-like regime and a 3D-like regime. Dimensional crossover is proposed as a viable experimental approach to observe the mobility edge.
Mechanical properties of a class of self-assembling hydrogels based on DNA hybridization were studied using rigid, embedded inclusions. Because inclusions can be deflected without direct contact with a manipulator (e.g., magnet) once they are embedded within the subject material, the measurement technique is well suited for monitoring instantaneous and time-varying changes in the mechanical properties of active materials as they respond to external stimuli. In gels crosslinked with complementary strands of oligonucleotides, hybridization chemistry and strand displacement mechanisms allow reversible assembly, shape change, and large changes in compliance through the application of particular strands of DNA. In earlier work using large (diameter ∼0.8 mm) magnetic beads, the scaling behavior of the global elastic modulus with crosslink density was determined. More recently, it was shown that a threefold increase in stiffness was possible by generating prestress in the DNA-crosslinked gel network. Currently, the gels are functionalized to support cell attachment and embedded with micro-fabricated nickel bars. Through the measurement of local elastic and shear moduli as well as Poisson’s ratios, cell-substrate interactions can be used as a means of evaluating the potential of DNA-crosslinked gels as active cellular engineering substrates and tissue engineering scaffolds.