Information Entropy of Liquid Metals Gao, M. C; Widom, M
The journal of physical chemistry. B,
04/2018, Letnik:
122, Številka:
13
Journal Article
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Correlations reduce the configurational entropies of liquids below their ideal gas limits. By means of first-principles molecular dynamics simulations, we obtain accurate pair correlation functions ...of liquid metals, then subtract the mutual information content of these correlations from the ideal gas entropies to predict the absolute entropies over a broad range of temperatures. We apply this method to liquid aluminum and copper and demonstrate good agreement with experimental measurements; then, we apply it to predict the entropy of a liquid aluminum–copper alloy. Corrections due to electronic entropy and many-body correlations are discussed.
Tea is the world's most popular non-alcoholic beverage. China and India are known to be the largest tea producing countries and recognized as the centers for the domestication of the tea plant ...(Camellia sinensis (L.) O. Kuntze). However, molecular studies on the origin, domestication and relationships of the main teas, China type, Assam type and Cambod type are lacking.
Twenty-three nuclear microsatellite markers were used to investigate the genetic diversity, relatedness, and domestication history of cultivated tea in both China and India. Based on a total of 392 samples, high levels of genetic diversity were observed for all tea types in both countries. The cultivars clustered into three distinct genetic groups (i.e. China tea, Chinese Assam tea and Indian Assam tea) based on STRUCTURE, PCoA and UPGMA analyses with significant pairwise genetic differentiation, corresponding well with their geographical distribution. A high proportion (30%) of the studied tea samples were shown to possess genetic admixtures of different tea types suggesting a hybrid origin for these samples, including the Cambod type.
We demonstrate that Chinese Assam tea is a distinct genetic lineage from Indian Assam tea, and that China tea sampled from India was likely introduced from China directly. Our results further indicate that China type tea, Chinese Assam type tea and Indian Assam type tea are likely the result of three independent domestication events from three separate regions across China and India. Our findings have important implications for the conservation of genetic stocks, as well as future breeding programs.
Refractory high-entropy alloys hold the potential for high-temperature applications beyond the capability of the state-of-the-art Ni-based superalloys, and thus, it is important to study their solid ...solution formation characteristics and mechanical properties. In this study, designed by CALPHAD method, formation of as-cast arc-melted body-centered cubic MoNbTaTiV was experimentally verified using X-ray diffraction and scanning electron microscopy. The measured density and lattice parameter for MoNbTaTiV are 9.29g/cm3 and 3.224 Å, which obey the rule of mixtures (ROM). The alloy exhibits high hardness at 443 Hv, high yield strength at 1.4 GPa, and good compressive fracture strength at 2.45 GPa with a fracture strain of ∼30% at room temperature. The yield strength and hardness values of this alloy, and other single-phase refractory high-entropy alloys, are estimated using a simple model of solid solution strengthening. Reasonable agreement between modeling prediction and experiments is obtained. In addition, first-principles density functional theory calculations predict an enthalpy of formation of −0.865 kJ/mol for the MoNbTaTiV alloy, with calculated atomic volume and elastic properties (e.g., bulk and elastic moduli) obeying the ROM.
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•MoNbTaTiV exhibits the BCC structure, agreeing with CALPHAD calculations.•Predicted solid solution strengthening agrees well with experiments.•Hardness of BCC high entropy alloys is about three times the yield strength.•Calculated atomic volume and bulk and shear moduli obey the rule of mixtures.
Owing to the shortage of space for land reclamation in Hong Kong, it is difficult to dispose of tons of masonry waste generated daily from construction activities. Adoption of recycled aggregate from ...concrete waste thus becomes a burning issue. The Hong Kong SAR Government has set-up a recycling plant in Tuen Mun Area 38 aiming at turning concrete waste into recycled aggregate with a practice note and specifications issued for controlling the quality of recycled aggregate. However, the use of recycled aggregate concrete to high-grade applications is rarely reported because of its poorer compressive strength and high variability in mechanical behavior. This paper proposes a new approach in mixing concrete, namely, “two-stage mixing approach (TSMA),” intended to improve the compressive strength for recycled aggregate concrete and hence lower its strength variability. Based upon experimental works, improvements in strength to recycled aggregate concrete were achieved. The effect can be attributable to the porous nature of the recycled aggregate, and hence, the premix process can fill up some pores and cracks, resulting in a denser concrete, an improved interfacial zone around recycled aggregate and thus a higher strength when compared with the traditional mixing approach.
Thermal infrared (TIR) remote sensing of land-surface temperature (LST) provides valuable information about the sub-surface moisture status required for estimating evapotranspiration (ET) and ...detecting the onset and severity of drought. While empirical indices measuring anomalies in LST and vegetation amount (e.g., as quantified by the Normalized Difference Vegetation Index; NDVI) have demonstrated utility in monitoring ET and drought conditions over large areas, they may provide ambiguous results when other factors (e.g., air temperature, advection) are affecting plant functioning. A more physically based interpretation of LST and NDVI and their relationship to sub-surface moisture conditions can be obtained with a surface energy balance model driven by TIR remote sensing. The Atmosphere-Land Exchange Inverse (ALEXI) model is a multi-sensor TIR approach to ET mapping, coupling a two-source (soil + canopy) land-surface model with an atmospheric boundary layer model in time-differencing mode to routinely and robustly map daily fluxes at continental scales and 5 to 10-km resolution using thermal band imagery and insolation estimates from geostationary satellites. A related algorithm (DisALEXI) spatially disaggregates ALEXI fluxes down to finer spatial scales using moderate resolution TIR imagery from polar orbiting satellites. An overview of this modeling approach is presented, along with strategies for fusing information from multiple satellite platforms and wavebands to map daily ET down to resolutions on the order of 10 m. The ALEXI/DisALEXI model has potential for global applications by integrating data from multiple geostationary meteorological satellite systems, such as the US Geostationary Operational Environmental Satellites, the European Meteosat satellites, the Chinese Fen-yung 2B series, and the Japanese Geostationary Meteorological Satellites. Work is underway to further evaluate multi-scale ALEXI implementations over the US, Europe, Africa and other continents with geostationary satellite coverage.
We present a measurement of the Hubble constant made using geometric distance measurements to megamaser-hosting galaxies. We have applied an improved approach for fitting maser data and obtained ...better distance estimates for four galaxies previously published by the Megamaser Cosmology Project: UGC 3789, NGC 6264, NGC 6323, and NGC 5765b. Combining these updated distance measurements with those for the maser galaxies CGCG 074-064 and NGC 4258, and assuming a fixed velocity uncertainty of 250 km s−1 associated with peculiar motions, we constrain the Hubble constant to be H0 = 73.9 3.0 km s−1 Mpc−1 independent of distance ladders and the cosmic microwave background. This best value relies solely on maser-based distance and velocity measurements, and it does not use any peculiar velocity corrections. Different approaches for correcting peculiar velocities do not modify H0 by more than 1 , with the full range of best-fit Hubble constant values spanning 71.8-76.9 km s−1 Mpc−1. We corroborate prior indications that the local value of H0 exceeds the early-universe value, with a confidence level varying from 95% to 99% for different treatments of the peculiar velocities.
The formation of disordered solid solution in the hexagonal close-packed (hcp) structure in the GdHoLaTbY alloy and its mechanical properties were investigated in this study. The single hcp phase of ...the alloy in the as-cast state was confirmed by X-ray diffraction and scanning electron microscopy analyses. The compressive yield strength, fracture strength, and plastic strain of the alloy are 108MPa, 880MPa, and 21.8%, respectively, and the Vickers hardness is 96HV. The results show that the yield strength, fracture strength, and hardness of the alloy obey the rule of mixture, which indicates that there is no hardening effect from entropy. Although the high entropy of mixing stabilizes the solid solution against intermetallic compounds, lack of severe lattice distortion from elastic strain or electronic interactions between principal elements impacts little on the mechanical properties.
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•The GdHoLaTbY high-entropy alloy forms a hexagonal close-packed solid solution.•The strengthening effect from the configurational entropy is not found in the alloy.•The mechanical properties and Vickers hardness of the alloy obey the rule of mixture.
Genetic variations and adverse environmental events in utero or shortly after birth can lead to abnormal brain development and increased risk of schizophrenia. γ-Aminobutyric acid (GABA), the major ...inhibitory neurotransmitter in the mammalian brain, plays a vital role in normal brain development. GABA synthesis is controlled by enzymes derived from two glutamic acid decarboxylase (GAD) genes, GAD1 and GAD2, both of which produce transcript isoforms. While the full-length GAD1 transcript (GAD67) has been implicated in the neuropathology of schizophrenia, the transcript structure of GAD1 in the human brain has not been fully characterized. In this study, with the use of RNA sequencing and PCR technologies, we report the discovery of 10 novel transcripts of GAD1 in the human brain. Expression levels of four novel GAD1 transcripts (8A, 8B, I80 and I86) showed a lifespan trajectory expression pattern that is anticorrelated with the expression of the full-length GAD1 transcript. In addition, methylation levels of two CpG loci within the putative GAD1 promoter were significantly associated with the schizophrenia-risk SNP rs3749034 and with the expression of GAD25 in dorsolateral prefrontal cortex (DLPFC). Moreover, schizophrenia patients who had completed suicide and/or were positive for nicotine exposure had significantly higher full-length GAD1 expression in the DLPFC. Alternative splicing of GAD1 and epigenetic state appear to play roles in the developmental profile of GAD1 expression and may contribute to GABA dysfunction in the PFC and hippocampus of patients with schizophrenia.
This study reports the design and development of ductile and strong refractory single-phase high-entropy alloys (HEAs) for high temperature applications, based on NbTaV with addition of Ti and W. ...Assisted by CALPHAD modeling, a single body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingots using X-ray diffraction and scanning electron microscopy. The observed elemental segregation in each alloy qualitatively agrees with CALPHAD prediction. The Vickers microhardnesses (and yield strengths) of the alloys are about 3 (and 3.5–4.4) times that those estimated from the rule of mixture. While NbTaTiVW shows an impressive yield strength of 1420MPa with fracture strain of 20%, NbTaTiV exhibits exceptional compressive ductility at room temperature.
The coronavirus disease 2019 (COVID-19) pandemic has resulted in millions of patients infected worldwide and indirectly affecting even more individuals through disruption of daily living. Long-term ...adverse outcomes have been reported with similar diseases from other coronaviruses, namely Middle East Respiratory Syndrome (MERS) and Severe Acute Respiratory Syndrome (SARS). Emerging evidence suggests that COVID-19 adversely affects different systems in the human body. This review summarizes the current evidence on the short-term adverse health outcomes and assesses the risk of potential long-term adverse outcomes of COVID-19. Major adverse outcomes were found to affect different body systems: immune system (including but not limited to Guillain-Barré syndrome and paediatric inflammatory multisystem syndrome), respiratory system (lung fibrosis and pulmonary thromboembolism), cardiovascular system (cardiomyopathy and coagulopathy), neurological system (sensory dysfunction and stroke), as well as cutaneous and gastrointestinal manifestations, impaired hepatic and renal function. Mental health in patients with COVID-19 was also found to be adversely affected. The burden of caring for COVID-19 survivors is likely to be huge. Therefore, it is important for policy makers to develop comprehensive strategies in providing resources and capacity in the healthcare system. Future epidemiological studies are needed to further investigate the long-term impact on COVID-19 survivors.
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