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Abstract The wider presence of pharmaceuticals and personal care products in nature is a major cause for concern in society. Among pharmaceuticals, the anti-inflammatory drug ibuprofen has commonly been found in aquatic and soil environments. We produced a Co-doped carbon matrix (Co–P 850) through the carbonization of Co2+ saturated peat and used it as a peroxymonosulphate activator to aid ibuprofen degradation. The properties of Co–P 850 were analysed using field emission scanning electron microscopy, energy filtered transmission electron microscopy and X-ray photoelectron spectroscopy. The characterization results showed that Co/Fe oxides were generated and tightly embedded into the carbon matrix after carbonization. The degradation results indicated that high temperature and slightly acidic to neutral conditions (pH = 5 to 7.5) promoted ibuprofen degradation efficiency in the Co–P 850/peroxymonosulphate system. Analysis showed that approx. 52% and 75% of the dissolved organic carbon was removed after 2 h and 5 h of reaction time, respectively. Furthermore, the existence of chloride and bicarbonate had adverse effects on the degradation of ibuprofen. Quenching experiments and electron paramagnetic resonance analysis confirmed that SO4·-, ·OH and O2·− radicals together contributed to the high ibuprofen degradation efficiency. In addition, we identified 13 degradation intermediate compounds and an ibuprofen degradation pathway by mass spectrometry analysis and quantum computing. Based on the results and methods presented in this study, we propose a novel way for the synthesis of a Co-doped catalyst from spent NaOH-treated peat and the efficient catalytic degradation of ibuprofen from contaminated water.
Abstract The conventional micromechanical approaches today are still not able to properly predict the ductile-to-brittle transition (DBT) of steels because of their inability to consider the co-operating ductile fracture and cleavage mechanisms in the transition region, and simultaneously to incorporate the inherent complexity of microstructures. In this study, a complete methodology with coupled cellular automata finite element method (CAFE) and multi-barrier microcrack propagation models is presented to advance the prediction of DBT. The methodology contains three key elements: (i) a multiscale CAFE modelling approach to realize the competition between ductile damage and cleavage fracture and embrace the probabilistic nature of microstructures, (ii) a continuum approach to estimate the effective surface energy for a microcrack to penetrate over particle/matrix interface, and (iii) a method to calculate the effective surface energy for the microcrack to propagate across grain boundaries. The prediction of DBT therefore needs only (1) the stress-strain curves tested at different temperatures, (2) the activation energy for DBT, (3) the ratio between the size of cleavage facets and cleavage-initiating defects, and (4) key statistical distributions of the given microstructures. The proposed methodology can accurately reproduce the experimental DBT curve of a low-carbon ultrahigh-strength steel.
Abstract Residual stress in additive manufacturing (AM) is one of the key challenges in terms of structural integrity and the finish quality of printed components. Estimating the distribution of residual stresses in additively manufactured components is complex and computationally expensive with full-scale thermo-mechanical FE analysis. In this study, a point heat source is utilized to predict the thermal field and residual stress distribution during the manufacturing processes. Numerical results show that the residual stress at a single material point can be expressed as a function of its spatial position and the peak nodal temperature it has experienced during thermal cycles. The distribution of residual stress can be divided into three segments according to the peak nodal temperature. The peak nodal temperature only depends on the heat flux and the distance to the point heat source center. A semi-analytical approach to predict the peak nodal temperature and residual stresses, once the heat flux is known, is proposed. The proposed approach is further validated by a numerical case study, and a very good agreement has been achieved. Compared with traditional thermo-mechanical FE analysis of additive manufacturing, the proposed method significantly improves the computational efficiency, showing great potential for prediction of residual stresses and distortion.
Abstract Mirror twin grain boundary (MTB) defects, being a special type of high-symmetry one-dimensional (1D) defects in two-dimensional atomically thin transition metal dichalcogenides (TMDCs), have received considerable interest due to their unique structures and intriguing 1D properties. However, formation and distribution of MTBs in hybrid TMDC materials such as heterojunction remain scarcely studied. Herein, we investigate the spatial distribution, lattice registry and formation mechanism of MTBs in molecular beam epitaxy grown monolayer WSe2–MoSe2 lateral heterojunctions using atomic-resolution annular dark-field scanning transmission electron microscopy (ADF-STEM). MTBs manifest a much higher density in MoSe2 than in WSe2 domains with a few of them spanning coherently across the domain interface. Compositionally, a Mo-dominant rather than W-dominant configuration was observed in those MTBs located in WSe2 domains and its origin can be attributed to the preferable Mo substitution to W along the MTBs occurring at the later MoSe2 growth period. This proposed mechanism is supported by ab-initio density functional theory calculations and substitution dynamics captured by in-situ ADF-STEM. The present study deepens our understanding of MTBs in heterostructured TMDCs, which may also serve as an excellent platform for the exploration of intriguing 1D physics.
Abstract Fe–Mn–Al–C austenitic steels have promising prospects for lightweight applications, due to their low density, excellent strength, and ductility. But the specific strength ratio of these alloys are still low as compared to other alloys. Herein, an orthogonal rolling (OR) process was used to improve the mechanical strength of a Fe–28Mn–8Al–1C low-density steel. The effect of this deformation method on the microstructural evolution and mechanical properties was studied by means of microscopy techniques, e.g. optic, scanning and transmission electron microscope, electron backscattered diffraction, X-ray diffraction, micro hardness and tensile test measurements. Microstructural characterization results show that OR significantly promotes the activation of multiple slip systems within grains in the material. The development of more uniform deformation microstructure, compared with that that after unidirectional cold rolling to the same strain was mainly due the improvement of the uniformity of strain distribution by rolling deformation in multiple directions. It resulted in an average 84.5 nm sized ultrafine grain structures after 8-pass OR. The tensile and yield strengths were significantly increased to 1813 MPa and 1798 MPa, respectively. Despite of the still-exiting strength-ductility trade-off, a much higher elongation at tensile failure of 9.6% was achieved, compared to only 5.2% of unidirectional cold rolled material. This superior strength and ductility combination was likely promoted by the increased dislocation density and deformation substructures in forms of dislocation cells, and deformation twins induced by OR.
Abstract The n-back task is widely used in working memory (WM) research. However, it remains unclear how the electrophysiological correlates of WM processes, the P2, N2, P300, and negative slow wave (NSW), are affected by differences in load. Specifically, while previous work has examined the P300, less attention has been paid to the other components assessing the load of the n-back paradigm. The present study aims to investigate whether other sub-processes in WM (such as inhibitory control) are as sensitive to n-back load changes as the update process by observing changes in the above event-related potential (ERP) components. The results showed poorer behavioral performance with increasing WM load. Greater NSW and smaller P300 amplitudes were elicited by n-back task with a higher load compared to that with lower load. In contrast, there was no significant effect of the n-back load on the amplitudes of P2 and N2. These findings suggest that the updating process and the maintenance process are sensitive to the n-back load change. Therefore, changes in the updating and maintenance processes should be considered when using the n-back task to manipulate the WM load in experiments. The present study may contribute to the understanding of the complexity of WM loads. Additionally, a theoretical basis for follow-up research to explore ways of improving WM performance with high load is provided.
Abstract In this study, a new medium-heavy alloy (MHA) of 55Ni-39 W-5Co-1Ta was designed, based on the principles of face-centered cubic structures and age-strengthening. The microstructure and properties of pre-deformed MHA after aging were systematically explored by room-temperature tensile testing, scanning electron microscopy, transmission electron microscopy and x-ray diffraction. Results show that a large number of dislocations were generated in the solid solution of the MHA by pre-deformation, and the dislocation density increased significantly with deformation. The high-density dislocations interacted with each other and formed dislocation tangles, then the dislocation cells. Moreover, pre-deformation effectively promoted the precipitation of the Ni4W phase during the subsequent aging, and the volume fraction of the Ni4W phase increased significantly under increased pre-deformation. Thanks to a combined effect of work-hardening and age-strengthening, the tensile and yield strengths of the pre-deformed MHA after the aging treatment increased significantly. The fracture morphology of the pre-deformed MHA after the aging treatment showed typical ductile fracture characteristics. The novel MHA has better dynamic performance, and the flow stress of the MHA was effectively improved by the aging treatment.
Abstract Stress relief treatments were carried out separately with a pneumatic chipping hammer, ultrasonic peening treatment, and heat treatment for metal active-gas welding (MAG) welded joints of 2205 duplex stainless steel. The effects of these methods on the residual stress, microstructure, mechanical properties and corrosion resistance of welded joints were studied. Results show the stress state of the weld and the surrounding area was effectively improved by the pneumatic chipping hammer and ultrasonic peening treatment, and the residual stress field of the surface layer changed from tensile stress to compressive stress. On the contrary, low-temperature stress relieving annealing had no obvious effect on stress distribution. After the pneumatic chipping hammer and ultrasonic peening treatment, the welded joints were machined and hardened. Correspondingly, strength and hardness were improved. However, the heat treatment only led to a slight decrease in strength and hardness due to the static recovery of the welded joint structure. All stress relief methods effectively improved the corrosion resistance of welded joints, with the ultrasonic peening treatment giving the best performance.
Evidence for chiral doublet bands has been observed for the first time in the even-even nucleus 136 Nd . One chiral band was firmly established. Four other candidates for chiral bands were also identified, which can contribute to the realization of the multiple pairs of chiral doublet bands ( M χ D ) phenomenon. The observed bands are investigated by the constrained and tilted axis cranking covariant density functional theory (TAC-CDFT). Possible configurations have been explored. The experimental energy spectra, angular momenta, and B ( M 1 ) / B ( E 2 ) values for the assigned configurations are globally reproduced by TAC-CDFT. Calculated results support the chiral interpretation of the observed bands, which correspond to shapes with maximum triaxiality induced by different multiquasiparticle configurations in 136 Nd .
Abstract Thermomechanical deformation is one of the most efficient and facile routes to tailor microstructure in structural materials for mechanical property enhancement. Herein, the Ce‐modified SAF2507 super duplex stainless steel (Ce‐SAF2507) is deformed at different levels from 30% to 90% at a cryogenic temperature (–196 °C) to achieve superior mechanical performances. Cryogenic rolling increase fiber texture and induce ultra‐fine grain refinement which brings grains to ≈10 nm in the selected steel. The high‐density dislocations and deformation twins in the cryogenically rolled Ce‐SAF2507 lead to the nucleation and growth of martensite. Increases in the martensite volume fraction and nanoscale grain refinement occur at higher deformation levels. Cryogenically rolled deformation results in the overall increase in the Ce‐SAF2507 hardness. A higher hardness increment of austenite–martensite dual‐phase compared to that of ferrite is attributed to the austenite–martensite‘s higher work hardening ability. Furthermore, the ultimate tensile strength and yield strength increase with the deformation level, but the elongation decrease. Observed microstructural evolutions induced by cryogenic rolling enunciate the superiority of the present method over conventional ones to promote steel’ mechanical properties.
Abstract Supersonic fine particles bombarding (SFPB) technology opens a new territory for engineering materials towards improved performances. Owing to its merits and emerging applications, 300M steel (tensile strength ≥1800 MPa) was treated with SFPB to create surface gradient nanostructures. The time dependent SFPB process was implemented on various 300M steel surface to investigate the microstructural evolution and mechanical property. 300M steel surface grains were sufficiently refined down to nanometer scale under high energy SFPB. In the subsurface layer, acicular martensite was found to be bent and broken, resulting in the high-density dislocation. At the early stage of SFPB, the impact affected area of 300M steel surface was deepened with increasing SFPB time, and the grains were constantly refined, which further lead to higher strength and improved hardness. However, after longer treatments of more than 90 s, bombardment energy accumulated at 300M steel surface resulted in grain growths and deteriorations of hardness. In particular, the newly formed microcracks substantially reduced the tensile strength. After SFPB treatment, the dimple size of the 300M steel surface fracture decreased significantly, and a large area of cleavage plane appeared, showing typical characteristics of ductile-brittle mixed fracture.
Abstract A typical rare-earth element modified Ce-SAF 2507 super duplex stainless steel was isothermally hot-compressed to reach superior mechanic properties over its pristine and peers. Mechanical, macro- and micro-structural evolutions subjected to hot-modification were studied in detail toward an optimal hot working for the Ce-SAF2507. A dynamic softening phenomenon shows that the increase of hot deformation temperature and decrease of the strain rate were dominated by the dynamic recovery of ferrite at a high strain rate and low deformation temperature. The same phenomenon at a low strain rate but high deformation temperature was ruled by the dynamic recrystallization of austenite. These two processes determined significant phase transformations from austenite to ferrite under higher deformation temperature and strain rate. A hot deformation activation energy Q ∼406 kJ mol−1 was obtained through a unified strain-compensated constitutive equation for Ce-SAF2507. Quantitative grain size refinements further proved the above mechanisms deduced from mechanical and microscopic observations, while structure induced changes of mechanical properties were crosschecked with the microhardness. Insights of microstructure also demonstrated the existences of the Cr2N in both phases, grain boundaries, and α/γ interface. The overall deformation dynamics was explicated based on the structural and quantitative results.
DIII-D physics research addresses critical challenges for the operation of ITER and the next generation of fusion energy devices. This is done through a focus on innovations to provide solutions for high performance long pulse operation, coupled with fundamental plasma physics understanding and model validation, to drive scenario development by integrating high performance core and boundary plasmas. Substantial increases in off-axis current drive efficiency from an innovative top launch system for EC power, and in pressure broadening for Alfven eigenmode control from a co-/counter-I p steerable off-axis neutral beam, all improve the prospects for optimization of future long pulse/steady state high performance tokamak operation. Fundamental studies into the modes that drive the evolution of the pedestal pressure profile and electron vs ion heat flux validate predictive models of pedestal recovery after ELMs. Understanding the physics mechanisms of ELM control and density pumpout by 3D magnetic perturbation fields leads to confident predictions for ITER and future devices. Validated modeling of high-Z shattered pellet injection for disruption mitigation, runaway electron dissipation, and techniques for disruption prediction and avoidance including machine learning, give confidence in handling disruptivity for future devices. For the non-nuclear phase of ITER, two actuators are identified to lower the L-H threshold power in hydrogen plasmas. With this physics understanding and suite of capabilities, a high poloidal beta optimized-core scenario with an internal transport barrier that projects nearly to Q = 10 in ITER at ∼8 MA was coupled to a detached divertor, and a near super H-mode optimized-pedestal scenario with co-I p beam injection was coupled to a radiative divertor. The hybrid core scenario was achieved directly, without the need for anomalous current diffusion, using off-axis current drive actuators. Also, a controller to assess proximity to stability limits and regulate β N in the ITER baseline scenario, based on plasma response to probing 3D fields, was demonstrated. Finally, innovative tokamak operation using a negative triangularity shape showed many attractive features for future pilot plant operation.
Abstract To dissect the genetic architecture of blood pressure and assess effects on target organ damage, we analyzed 128,272 SNPs from targeted and genome-wide arrays in 201,529 individuals of European ancestry, and genotypes from an additional 140,886 individuals were used for validation. We identified 66 blood pressure–associated loci, of which 17 were new; 15 harbored multiple distinct association signals. The 66 index SNPs were enriched for cis-regulatory elements, particularly in vascular endothelial cells, consistent with a primary role in blood pressure control through modulation of vascular tone across multiple tissues. The 66 index SNPs combined in a risk score showed comparable effects in 64,421 individuals of non-European descent. The 66-SNP blood pressure risk score was significantly associated with target organ damage in multiple tissues but with minor effects in the kidney. Our findings expand current knowledge of blood pressure–related pathways and highlight tissues beyond the classical renal system in blood pressure regulation.