Ring artifacts are common artifacts in X-ray Computed Tomography (XCT) scans and have a significant impact on subsequent feature/phase extractions due to the small grayscale gradients in XCT volume data of bulk materi...
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In order to reasonably control the precipitation of inclusions during solidification in TWIP steels, the precipitation behavior of typical MnS inclusions in high manganese steel was investigated by unidirectional soli...
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Seawater electrolysis is a highly promising method to produce high energy density hydrogen,especially in dry areas that have scarce freshwater ***,application of seawater electrolysis is confronted by two major proble...
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Seawater electrolysis is a highly promising method to produce high energy density hydrogen,especially in dry areas that have scarce freshwater ***,application of seawater electrolysis is confronted by two major problems associated with catalysts employed for the anodic oxygen evolution reaction(OER) including the competitive hypochlorite evolution reaction(HCER) and strong chloridion(Cl-) triggered *** studies aimed at overcoming these problems,a facile method has been developed to synthesize a homologous CoS2heterojunction as an OER *** to a difference in work functions at the interface and increased electron density,this material has directed electron transfer and strong chloridion repulsion properties,*** have shown that CoS2achieves low overpotentials of 289 and 322 mV at 10 mA cm-2current density in respective alkaline(1 M KOH) and alkaline simulated seawater ***,the outstanding stability of CoS2is reflected in a negligible decline in activity during promotion of the OER for 100 *** of density functional theory calculations reveal that the homologous CoS2heterojunction promotes directed electron transport for optimizing adsorption/desorption of reactive species and heightens the Cl-adsorption energy for strongly repulsing Cl-,phenomena that enhance OER performance in alkaline simulated seawater.
The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN_(4)or CoN_(4)embedded graphene-...
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The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN_(4)or CoN_(4)embedded graphene-based bilayer as active layer and TMC_(3)or TMN_(3)doped graphene as supporting layer,named as FeN_(4)/TMC_(3)or FeN_(4)/TMN_(3)and CoN_(4)/TMC_(3)or CoN_(4)/TMN_(3),wherein TM strands for transition *** on density functional theory calculations,our results demonstrate that the interaction formed between dual metal atoms in the bilayer interspace leads to the coordination environment altered from flat four-coordination to spatial five-coordination,further stabilizing the bilayer structure and impairing its affinity toward the O-containing *** to thermodynamic analysis,the bilayers of CoN_(4)/CoN_(3),FeN_(4)/FeC_(3),FeN_(4)/CoC_(3),FeN_(4)/NiC_(3),FeN_(4)/ZnC_(3),FeN_(4)/FeN_(3),FeN_(4)/CrN_(3)and FeN_(4)/ZnN_(3)are attractively promising for bifunctional oxygen electrocatalysis due to the small overpotential differenceΔηbetween oxygen reduction and oxygen evolution that are less than 1 *** functional theory calculations combined with machine learning analysis directly identify the key role played by the interbinding formed between bilayers,that boosts catalytic activity,which establishes a predictable framework for a fast screen for graphene-based bilayer vertical *** work opens up a new path for designing the efficient electrocatalysts via modification of coordination environment.
Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effec...
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Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effective Hamiltonian method in conjuction with the phase-field model, we have successfully reproduced the thermal hysteresis observed in ferroelectric materials during phase transitions. The computational results regarding the electrocaloric effect from these two different computational scales closely align with experimental measurements. Furthermore, we analyze how the first-order ferroelectric phase transition gradually diminishes with an increasing applied electric field, exhibiting characteristics of second-order-like phase transition. By employing the characteristic parameters of thermal hysteresis, we have established a pathway for calculations across different computational scales, thereby providing theoretical support for further investigations into the properties of ferroelectric materials through concurrent multiscale simulations.
The oxygen evolution reaction(OER)reaction kinetics of nickel-iron(oxy)hydroxides(NiFeOOH)is limited by their weak adsorption of OER ***,a hierarchical NiFeOOH@CeO_(2−x)nanosheets array was in situ grown on a nickel f...
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The oxygen evolution reaction(OER)reaction kinetics of nickel-iron(oxy)hydroxides(NiFeOOH)is limited by their weak adsorption of OER ***,a hierarchical NiFeOOH@CeO_(2−x)nanosheets array was in situ grown on a nickel foam by a facile laser direct writing method,which exhibits superior OER activity and durability at high current densities in alkaline *** hierarchical nanosheets array exposes abundant catalytic active sites,which greatly promote OER reaction *** strong electronic interaction at the NiFeOOH/CeO_(2−x)interface leads to favorable electron transfer from Ni^(2+)/^(3+)and Fe^(3+)to Ce^(3+)/^(4+).The Ni sites with high valences show enhanced OH−adsorption and also promote the formation of*OOH intermediate,thereby greatly improving OER intrinsic *** oxygen deficient CeO_(2−x)primary sheets guarantee good electrical *** a well-designed catalytic electrode requires overpotentials of only 229 and 287 mV to achieve current densities of 50 and 500 mA·cm^(−2),respectively,and sustains superior stability at 500 mA·cm^(−2)and 1 A·cm^(−2).
LiFePO_(4) is a cathode material with good thermal stability,but low thermal conductivity is a critical *** this study,we employ a machine learning potential approach based on first-principles methods combined with th...
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LiFePO_(4) is a cathode material with good thermal stability,but low thermal conductivity is a critical *** this study,we employ a machine learning potential approach based on first-principles methods combined with the Boltzmann transport theory to investigate the influence of Na substitution on the thermal conductivity of LiFePO_(4) and the impact of Li-ion de-embedding on the thermal conductivity of Li_(3/4)Na_(1/4)FePO_(4),with the aim of enhancing heat dissipation in Li-ion *** results show a significant increase in thermal conductivity due to an increase in phonon group velocity and a decrease in phonon anharmonic scattering by Na *** addition,the thermal conductivity increases significantly with decreasing Li-ion concentration due to the increase in phonon *** work guides the improvement of the thermal conductivity of Li FePO_4,emphasizing the crucial roles of both substitution and Li-ion detachment/intercalation for the thermal management of electrochemical energy storage devices.
In this correspondence, we investigate the performance of multiuser multiple-input and multiple-output (MU-MIMO) systems in cellular networks using Poisson point process (PPP) models. Focusing on limited- feedback-bas...
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The microstructure evolution and mechanical properties of Cu-bearing ferritic stainless steel with diferent Cr addition(Cr=12,15 and 17 wt%)were *** phase transformation behavior under diferent cooling rate,Cu-rich pr...
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The microstructure evolution and mechanical properties of Cu-bearing ferritic stainless steel with diferent Cr addition(Cr=12,15 and 17 wt%)were *** phase transformation behavior under diferent cooling rate,Cu-rich precipitation behavior and its infuence on the mechanical properties under diferent aging treatment are systematically characterized using dilatometry,diferential scanning calorimeter(DSC)and transmission electron microscopy(TEM).The results indicated that the increase in Cr content narrowed the austenite phase region at high temperatures,afecting its microstructure under diferent cooling *** 12Cr-1.5Cu steel exhibited a fully austenitic phase region at high temperature and occurred apparent martensitic transformation after air *** rate signifcantly infuenced the phase transition of the steels,and subsequently afected its mechanical *** three investigated steels showed higher strength and lower plasticity in air cooling condition compared to furnace cooling condition,due to the presence of *** aging treatment,high number densities of Cu-rich precipitates were formed in steel matrix and the size of Cu-rich precipitates increased obviously with increasing aging temperature,while the tendency for number density was *** and dispersed Cu-rich precipitates formed during low-temperature aging enhanced strength of the steels,while larger Cu-rich phases developed during high-temperature aging endowed greater ductility to the ***,the Cr content had no signifcant efect on the precipitation behavior of Cu-rich *** comprehensive results and analyses could provide a solid foundation for broader applications of Cu-bearing ferritic stainless steels.
A numerical method to predict the bursting strength of filament wound composite rocket motor case is proposed *** method can evaluate the longitudinal stress evolution of each composite layer as impregnated filaments ...
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A numerical method to predict the bursting strength of filament wound composite rocket motor case is proposed *** method can evaluate the longitudinal stress evolution of each composite layer as impregnated filaments with fiber tension are wound layer by layer,and consider the effects of accumulated stress and deformation during filament winding on the bursting strength of composite ***∅520 mm composite cases as a case study,the filament-winding-process-induced stress and deformation as well as progressive damage behavior are numerically predicted,followed by a comparison with experimental *** numerical results show that the predicted bursting pressures for composite cases manufactured on the mandrels with and without a flexible component are 14.20 MPa and 21.40 MPa,*** values exhibit slight deviation from the measured pressures of 13.50 MPa and 21.57 ***,the predicted damage locations,situated respectively in the dome and cylinder,agree well with the experimental *** observations indicate that use of flexible component reduces the load-bearing capacity of the ***,it validates the reliability and accuracy of the proposed numerical method in predicting the bursting strength of composite cases.
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