The stability of small vacancy clusters including divacancy,trivacancy and tetravacancy has been studied in body-centered cubic high-entropy alloy Nb_(0.75)ZrTiV_(0.5) in structures of random solid solution and short-...
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The stability of small vacancy clusters including divacancy,trivacancy and tetravacancy has been studied in body-centered cubic high-entropy alloy Nb_(0.75)ZrTiV_(0.5) in structures of random solid solution and short-range order by first-principles calculations and molecular dynamics *** from conventional body-centered cubic metals,the tightly bound configurations have a lower structural stability and are not preferred energetically in the studied high-entropy *** of vacancy configurations leads to vacancy-atom exchanges that favor less compact *** formation energy of small vacancy clusters is much smaller than its constituent elements of Nb and V due to the large structural adjustment induced by severe local lattice *** difference in local lattice distortion and elemental arrangement in the vacancy neighborhood leads to significant site-to-site variation in vacancy cluster energy and *** formation energy has a strong correlation with the local energy state of the vacancy configuration and the extent of structural *** to random solid solution,the structure of short-range order has a higher stability for the most compact cluster configurations and tends to have higher vacancy cluster formation *** to classical molecular dynamics simulations of cluster diffusion at high temperature,the studied high-entropy alloy has a higher probability of cluster dissociation compared to Nb and *** unconventional energetics of small vacancy clusters is expected to have a profound impact on their generation,diffusion,dissociation,coalescence,as well as the defect microstructure evolution during irradiation.
Alkalicarbonate-based sorbents(ACSs),including Na_(2)CO_(3)-and K2CO_(3)-based sorbents,are promising for CO_(2)***,the complex sorbent components and operation conditions lead to the versatile kinetics of CO_(2)sorpt...
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Alkalicarbonate-based sorbents(ACSs),including Na_(2)CO_(3)-and K2CO_(3)-based sorbents,are promising for CO_(2)***,the complex sorbent components and operation conditions lead to the versatile kinetics of CO_(2)sorption on these *** paper proposed that operando modeling and measurements are powerful tools to understand the mechanism of sorbents in real operating conditions,facilitating the sorbent development,reactor design,and operation parameter *** reviewed the theoretical simulation achievements during the development of *** elucidated the findings obtained by utilizing density functional theory(DFT)calculations,ab initio molecular dynamics(AIMD)simulations,and classical molecular dynamics(CMD)simulations as *** hygroscopicity of sorbent and the humidity of gas flow are crucial to shifting the carbonation reaction from the gas-solid mode to the gas-liquid mode,boosting the ***,it briefly introduced a machine learning(ML)approach as a promising method to aid sorbent ***,it demonstrated a conceptual compact operando measurement system in order to understand the behavior of ACSs in the real operation *** proposed measurement system includes a micro fluidizedbed(MFB)reactor for kinetic analysis,a multi-camera sub-system for 3D particle movement tracking,and a combined Raman and IR sub-system for solid/gas components and temperature *** is believed that this system is useful to evaluate the real-time sorbent performance,validating the theoretical prediction and promoting the industrial scale-up of ACSs for CO_(2)capture.
Axial cyclone separator has been widely applied in chemical production as an efficient gas-liquid separation *** this study,a new axial cyclone separator with integrated swirler and exhaust pipe is designed to achieve...
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Axial cyclone separator has been widely applied in chemical production as an efficient gas-liquid separation *** this study,a new axial cyclone separator with integrated swirler and exhaust pipe is designed to achieve the development goal of compact structure for advanced engine,and the distribution characteristics of swirling flow patterns as well as the variation in separation characteristics are investigated under slug flow *** on flow visualizations and fluctuation characteristics of pressure signals,three typical flow patterns,namely,slug flow,swirling intermittent flow,and swirling annular flow,in the horizontal swirling separation flow are *** is investigated how the inlet conditions affect the separation characteristic *** separation purity and extreme points of the air separation efficiency are independent of the inlet liquid flow *** separation pressure drop is quadratically related to the inlet air flow *** on the drift-flux model and other methods,the prediction methods for the air separation efficiency and pressure drop are proposed,and the prediction accuracy is within±20%,which may provide instructions for the practical application of axial cyclone separator.
Solar-driven CO_(2)conversion to chemical fuels in an aqueous solution is restricted not only by photocatalysts but also by mass ***,a regulatable three-phase interface on a porous fixed-bed is constructed for efficie...
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Solar-driven CO_(2)conversion to chemical fuels in an aqueous solution is restricted not only by photocatalysts but also by mass ***,a regulatable three-phase interface on a porous fixed-bed is constructed for efficient C-C coupling in photocatalytic CO_(2)*** photocatalytic results show that∼90%selectivity towards C^(2+)products is obtained by a Cu/Cd_(0.5)Zn_(0.5)S photocatalyst,with a yield of 6.54μmol/h(an irradiation area of 0.785 cm^(2)),while only 0.94μmol/h(an irradiation area of 19.625 cm^(2))is achieved with a commonly used suspension photocatalytic *** find that under the same CO_(2)feed rate,the local CO_(2)concentration in this porous fixed-bed photoreactor is obviously higher than in the suspension *** larger local CO_(2)coverage derived from a higher CO_(2)supply and aggregation enhances the C-C coupling,thereby generating more C^(2+).Even an observable three-phase interface on the porous fixed-bed can be regulated by adjusting the CO_(2)supply,for which the optimal gas inlet rate is 5-10 sccm.
Based on the PINN neural network for the study of turbulence, it can solve the nonlinear equations without grid, which is different from the CFD method. This paper mainly uses the PINN method to study the temporal and...
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Recently, nanotechnology attracts more and more attention in heat transfer system. Many studies have shown that using nanofluid as the working fluid can improve the thermal performance of the heat pipe. In this paper,...
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In this paper,a simple method to plate a hydrophobic coating on the inner surface of a small-scaled tube was proposed,where the coating consisted of carbon *** common plastics polystyrene,polycarbonate and polyethylen...
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In this paper,a simple method to plate a hydrophobic coating on the inner surface of a small-scaled tube was proposed,where the coating consisted of carbon *** common plastics polystyrene,polycarbonate and polyethylene were used as the feedstocks to be processed in supercritical water in a quartz tubular *** reaction,the contact angle of droplet on the inner surface of the quartz tube was turned out to be over 100°,significantly larger than that of the blank tube 54°.When processing polystyrene in the 750℃ supercritical water for 10 min,the largest contact angle was obtained,up to 145°.Besides,in this sample,the size of carbon spheres was smallest,about 2.09μm diameter on *** comparing among different types of plastics under the same condition,the contact angle of surface made from PC took the dominant position over that of PS and PE,124°,100°and 90°,*** the sample made from PC,carbon spheres adhered into a mountainlike shape,producing a binary geometric ***,this research could be helpful in the discussion of plastic waste management and carbon spheres fabrication with low cost.
Lead cooled fast reactor (LFR) is the fourth generation reactor system with great development potential;Supercritical carbon dioxide (S-CO2) Brayton cycle is also considered as the most promising energy system due to ...
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As a coolant enabling the reactor with a high efficiency and low volume, the supercritical CO2 has becoming a hot topic nowadays. However, the fuel rod behaviors under accidents are not studied thoroughly, especially ...
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For pseudocapacitive electrode materials(PseEMs),despite much progress having been made in achieving both high power density and high energy density,a general strategy to guide the enhancement of intrinsic capacitive ...
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For pseudocapacitive electrode materials(PseEMs),despite much progress having been made in achieving both high power density and high energy density,a general strategy to guide the enhancement of intrinsic capacitive properties of PseEMs remains ***,we demonstrate a universal chargecompensating strategy to improve the charge-storage capability of PseEMs intrinsically:ⅰ) in the electrolyte with anion as charge carriers(such as OH-),reducing the multivalent cations of PseEMs into lower valences could create more reversible low-to-high valence redox cou ples to promote the intercalation of the anions;ⅱ) in the electrolytes with cation as charge carriers(such as H^(+),Li^(+),Na^(+)),oxidizing the multivalent cations of PseEMs into higher valences could introduce more reversible high-to-low valence redox couples to promote the intercalation of the *** we demonstrated that the improved intrinsic charge-storage capability for PseEMs originates from the increased Faradaic charge storage sites.
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