The phase field model can coherently address the relatively complex fracture phenomenon,such as crack nucleation,branching,deflection,etc.The model has been extensively implemented in the finite element package Abaqus...The phase field model can coherently address the relatively complex fracture phenomenon,such as crack nucleation,branching,deflection,etc.The model has been extensively implemented in the finite element package Abaqus to solve brittle fracture problems in recent studies.However,accurate numerical analysis typically requires fine meshes to model the evolving crack path effectively.A broad region must be discretized without prior knowledge of the crack path,further augmenting the computational expenses.In this proposed work,we present an automated framework utilizing a posteriori error-indicator(MISESERI)to demarcate and sufficiently refine the mesh along the anticipated crack path.This eliminates the need for manual mesh refinement based on previous experimental/computational results or heuristic judgment.The proposed Python-based framework integrates the preanalysis,sufficient mesh refinement,and subsequent phase-field model-based numerical analysis with user-defined subroutines in a single streamlined pass.The novelty of the proposed work lies in integrating Abaqus’s native error estimation and mesh refinement capability,tailored explicitly for phase-field simulations.The proposed methodology aims to reduce the computational resource requirement,thereby enhancing the efficiency of the phase-field simulations while preserving the solution accuracy,making the framework particularly advantageous for complex fracture problems where the computational/experimental results are limited or unavailable.Several benchmark numerical problems are solved to showcase the effectiveness and accuracy of the proposed approach.The numerical examples present the proposed approach’s efficacy in the case of a complex mixed-mode fracture problem.The results show significant reductions in computational resources compared to traditional phase-field methods,which is promising.展开更多
Ammonia and nitric acid,versatile industrial feedstocks,and burgeoning clean energy vectors hold immense promise for sustainable development.However,Haber–Bosch and Ostwald processes,which generates carbon dioxide as...Ammonia and nitric acid,versatile industrial feedstocks,and burgeoning clean energy vectors hold immense promise for sustainable development.However,Haber–Bosch and Ostwald processes,which generates carbon dioxide as massive by-product,contribute to greenhouse effects and pose environmental challenges.Thus,the pursuit of nitrogen fixation through carbon–neutral pathways under benign conditions is a frontier of scientific topics,with the harnessing of solar energy emerging as an enticing and viable option.This review delves into the refinement strategies for scale-up mild photocatalytic nitrogen fixation,fields ripe with potential for innovation.The narrative is centered on enhancing the intrinsic capabilities of catalysts to surmount current efficiency barriers.Key focus areas include the in-depth exploration of fundamental mechanisms underpinning photocatalytic procedures,rational element selection,and functional planning,state-of-the-art experimental protocols for understanding photo-fixation processes,valid photocatalytic activity evaluation,and the rational design of catalysts.Furthermore,the review offers a suite of forward-looking recommendations aimed at propelling the advancement of mild nitrogen photo-fixation.It scrutinizes the existing challenges and prospects within this burgeoning domain,aspiring to equip researchers with insightful perspectives that can catalyze the evolution of cutting-edge nitrogen fixation methodologies and steer the development of next-generation photocatalytic systems.展开更多
Due to the low content of alloying elements and the lack of effective nucleation sites,the fusion zone(FZ)of tungsten inert gas(TIG)welded AZ31 alloy typically exhibits undesirable coarse columnar grains,which can res...Due to the low content of alloying elements and the lack of effective nucleation sites,the fusion zone(FZ)of tungsten inert gas(TIG)welded AZ31 alloy typically exhibits undesirable coarse columnar grains,which can result in solidification defects and reduced mechanical properties.In this work,a novel welding wire containing MgO particles has been developed to promote columnar-to-equiaxed transition(CET)in the FZ of TIG-welded AZ31 alloy.The results show the achievement of a fully equiaxed grain structure in the FZ,with a significant 71.9%reduction in grain size to 41 μm from the original coarse columnar dendrites.Furthermore,the combination of using MgO-containing welding wire and pulse current can further refine the grain size to 25.6 μm.Microstructural analyses reveal the homogeneous distribution of MgO particles in the FZ.The application of pulse current results in an increase in the number density of MgO(1-2 μm)from 5.16 × 10^(4) m^(-3) to 6.18 × 10^(4) m^(-3).The good crystallographic matching relationship between MgO and α-Mg matrix,characterized by the orientation relationship of[11(2)0]α-Mg//[0(1)1]MgO and(0002)_(α-Mg)//(111)_(MgO),indicates that the MgO particles can act as effective nucleation sites for α-Mg to reduce nucleation undercooling.According to the Hunt criteria,the critical temperature gradient for CET is greatly enhanced due to the significantly increased number density of MgO nucleation sites.In addition,the correlation with the thermal simulation results reveals a transition in the solidification conditions within the welding pool from the columnar grain zone to the equiaxed grain zone in the CET map,leading to the realization of CET.The exceptional grain refinement has contributed to a simultaneous improvement in the strength and plasticity of welded joints.This study presents a novel strategy for controlling equiaxed microstructure and optimizing mechanical properties in fusion welding or wire and arc additive manufacturing of Mg alloy components.展开更多
Separating oil/water mixtures via superhydrophobic stainless steel mesh(SSM)is a kind of efficient methods of treating oily wastewater,and the superhydrophobic SSM with a low cost,simple fabrication process and robust...Separating oil/water mixtures via superhydrophobic stainless steel mesh(SSM)is a kind of efficient methods of treating oily wastewater,and the superhydrophobic SSM with a low cost,simple fabrication process and robust usability remains a challenge.Herein,urushiol-based benzoxazine(U-D)with a strong substrate adhesion and low surface free energy was used to anchor SiO_(2) particles on the SSM surface to obtain a durable superhydrophobic SSM(PU-D/SiO_(2)/SSM)through a simple dip-coating process,meanwhile,epoxy resin was also introduced to further improve the adhesion between coating and SSM.PU-D/SiO_(2)/SSM could successfully separate various immiscible oil-water mixtures with a separation efficiency of over 96%and a flux up to 27100 L/m^(2) h only by gravity,respectively.Especially,the modified SSM could effectively remove water from water-in-oil emulsion with a separation efficiency of 99.7%.Moreover,PU-D/SiO_(2)/SSM had an outstanding reusability,whose water contact angle and separation efficiency only slightly decreased after 20 cycles of separating oil/water mixture.In addition,the modified SSM also displayed a satisfactory abrasion resistance,chemical stability and self-cleaning property.Thereby,the robust PU-D/SiO_(2)/SSM prepared by cheap raw materials and facile dip-coating method exhibits a high potential for separating oil/water mixtures.展开更多
Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material stru...Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material structure simulation has become more and more perfect.This study employs numerical simulation to investigate the microstructure evolution of Al-Cu-Mg-Ag alloys during solidification with the aim of controlling its structure.The size distribution of Ti-containing particles in an Al-Ti-B master alloy was characterized via microstructure observation,serving as a basis for optimizing the nucleation density parameters for particles of varying radii in the phase field model.The addition of refiner inhibited the growth of dendrites and no longer produced coarse dendrites.With the increase of refiner,the grains gradually tended to form cellular morphology.The refined grains were about 100μm in size.Experimental validation of the simulated as-cast grain morphology was conducted.The samples were observed by metallographic microscope and scanning electron microscope.The addition of refiner had a significant effect on the refinement of the alloy,and the average grain size after refinement was also about 100μm.At the same time,the XRD phase identification of the alloy was carried out.The observation of the microstructure morphology under the scanning electron microscope showed that the precipitated phase was mainly concentrated on the grain boundary.The Al_(2)Cu accounted for about 5%,and the matrix phase FCC accounted for about 95%,which also corresponded well with the simulation results.展开更多
文摘The phase field model can coherently address the relatively complex fracture phenomenon,such as crack nucleation,branching,deflection,etc.The model has been extensively implemented in the finite element package Abaqus to solve brittle fracture problems in recent studies.However,accurate numerical analysis typically requires fine meshes to model the evolving crack path effectively.A broad region must be discretized without prior knowledge of the crack path,further augmenting the computational expenses.In this proposed work,we present an automated framework utilizing a posteriori error-indicator(MISESERI)to demarcate and sufficiently refine the mesh along the anticipated crack path.This eliminates the need for manual mesh refinement based on previous experimental/computational results or heuristic judgment.The proposed Python-based framework integrates the preanalysis,sufficient mesh refinement,and subsequent phase-field model-based numerical analysis with user-defined subroutines in a single streamlined pass.The novelty of the proposed work lies in integrating Abaqus’s native error estimation and mesh refinement capability,tailored explicitly for phase-field simulations.The proposed methodology aims to reduce the computational resource requirement,thereby enhancing the efficiency of the phase-field simulations while preserving the solution accuracy,making the framework particularly advantageous for complex fracture problems where the computational/experimental results are limited or unavailable.Several benchmark numerical problems are solved to showcase the effectiveness and accuracy of the proposed approach.The numerical examples present the proposed approach’s efficacy in the case of a complex mixed-mode fracture problem.The results show significant reductions in computational resources compared to traditional phase-field methods,which is promising.
基金financially supported by the National Natural Science Foundation of China(No.21675131)the Volkswagen Foundation(Freigeist Fellowship No.89592)+1 种基金the Natural Science Foundation of Chongqing(No.2020jcyj-zdxmX0003,CSTB2023NSCQ-MSX0924)the National Research Foundation,Singapore,and A*STAR(Agency for Science Technology and Research)under its LCER Phase 2 Programme Hydrogen&Emerging Technologies FI,Directed Hydrogen Programme(Award No.U2305D4003).
文摘Ammonia and nitric acid,versatile industrial feedstocks,and burgeoning clean energy vectors hold immense promise for sustainable development.However,Haber–Bosch and Ostwald processes,which generates carbon dioxide as massive by-product,contribute to greenhouse effects and pose environmental challenges.Thus,the pursuit of nitrogen fixation through carbon–neutral pathways under benign conditions is a frontier of scientific topics,with the harnessing of solar energy emerging as an enticing and viable option.This review delves into the refinement strategies for scale-up mild photocatalytic nitrogen fixation,fields ripe with potential for innovation.The narrative is centered on enhancing the intrinsic capabilities of catalysts to surmount current efficiency barriers.Key focus areas include the in-depth exploration of fundamental mechanisms underpinning photocatalytic procedures,rational element selection,and functional planning,state-of-the-art experimental protocols for understanding photo-fixation processes,valid photocatalytic activity evaluation,and the rational design of catalysts.Furthermore,the review offers a suite of forward-looking recommendations aimed at propelling the advancement of mild nitrogen photo-fixation.It scrutinizes the existing challenges and prospects within this burgeoning domain,aspiring to equip researchers with insightful perspectives that can catalyze the evolution of cutting-edge nitrogen fixation methodologies and steer the development of next-generation photocatalytic systems.
基金supported by the National Natural Science Foundation of China(No.51871155).
文摘Due to the low content of alloying elements and the lack of effective nucleation sites,the fusion zone(FZ)of tungsten inert gas(TIG)welded AZ31 alloy typically exhibits undesirable coarse columnar grains,which can result in solidification defects and reduced mechanical properties.In this work,a novel welding wire containing MgO particles has been developed to promote columnar-to-equiaxed transition(CET)in the FZ of TIG-welded AZ31 alloy.The results show the achievement of a fully equiaxed grain structure in the FZ,with a significant 71.9%reduction in grain size to 41 μm from the original coarse columnar dendrites.Furthermore,the combination of using MgO-containing welding wire and pulse current can further refine the grain size to 25.6 μm.Microstructural analyses reveal the homogeneous distribution of MgO particles in the FZ.The application of pulse current results in an increase in the number density of MgO(1-2 μm)from 5.16 × 10^(4) m^(-3) to 6.18 × 10^(4) m^(-3).The good crystallographic matching relationship between MgO and α-Mg matrix,characterized by the orientation relationship of[11(2)0]α-Mg//[0(1)1]MgO and(0002)_(α-Mg)//(111)_(MgO),indicates that the MgO particles can act as effective nucleation sites for α-Mg to reduce nucleation undercooling.According to the Hunt criteria,the critical temperature gradient for CET is greatly enhanced due to the significantly increased number density of MgO nucleation sites.In addition,the correlation with the thermal simulation results reveals a transition in the solidification conditions within the welding pool from the columnar grain zone to the equiaxed grain zone in the CET map,leading to the realization of CET.The exceptional grain refinement has contributed to a simultaneous improvement in the strength and plasticity of welded joints.This study presents a novel strategy for controlling equiaxed microstructure and optimizing mechanical properties in fusion welding or wire and arc additive manufacturing of Mg alloy components.
基金Funded by the National Natural Science Foundation of China(No.22165019)。
文摘Separating oil/water mixtures via superhydrophobic stainless steel mesh(SSM)is a kind of efficient methods of treating oily wastewater,and the superhydrophobic SSM with a low cost,simple fabrication process and robust usability remains a challenge.Herein,urushiol-based benzoxazine(U-D)with a strong substrate adhesion and low surface free energy was used to anchor SiO_(2) particles on the SSM surface to obtain a durable superhydrophobic SSM(PU-D/SiO_(2)/SSM)through a simple dip-coating process,meanwhile,epoxy resin was also introduced to further improve the adhesion between coating and SSM.PU-D/SiO_(2)/SSM could successfully separate various immiscible oil-water mixtures with a separation efficiency of over 96%and a flux up to 27100 L/m^(2) h only by gravity,respectively.Especially,the modified SSM could effectively remove water from water-in-oil emulsion with a separation efficiency of 99.7%.Moreover,PU-D/SiO_(2)/SSM had an outstanding reusability,whose water contact angle and separation efficiency only slightly decreased after 20 cycles of separating oil/water mixture.In addition,the modified SSM also displayed a satisfactory abrasion resistance,chemical stability and self-cleaning property.Thereby,the robust PU-D/SiO_(2)/SSM prepared by cheap raw materials and facile dip-coating method exhibits a high potential for separating oil/water mixtures.
文摘Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material structure simulation has become more and more perfect.This study employs numerical simulation to investigate the microstructure evolution of Al-Cu-Mg-Ag alloys during solidification with the aim of controlling its structure.The size distribution of Ti-containing particles in an Al-Ti-B master alloy was characterized via microstructure observation,serving as a basis for optimizing the nucleation density parameters for particles of varying radii in the phase field model.The addition of refiner inhibited the growth of dendrites and no longer produced coarse dendrites.With the increase of refiner,the grains gradually tended to form cellular morphology.The refined grains were about 100μm in size.Experimental validation of the simulated as-cast grain morphology was conducted.The samples were observed by metallographic microscope and scanning electron microscope.The addition of refiner had a significant effect on the refinement of the alloy,and the average grain size after refinement was also about 100μm.At the same time,the XRD phase identification of the alloy was carried out.The observation of the microstructure morphology under the scanning electron microscope showed that the precipitated phase was mainly concentrated on the grain boundary.The Al_(2)Cu accounted for about 5%,and the matrix phase FCC accounted for about 95%,which also corresponded well with the simulation results.
