To investigate groundwater flow and solute transport characteristics of the karst trough zone in China,tracer experiments were conducted at two adjacent typical karst groundwater flow systems(Yuquandong(YQD)and Migong...To investigate groundwater flow and solute transport characteristics of the karst trough zone in China,tracer experiments were conducted at two adjacent typical karst groundwater flow systems(Yuquandong(YQD)and Migongquan(MGQ))in Sixi valley,western Hubei,China.Highresolution continuous monitoring was utilized to obtain breakthrough curves(BTCs),which were then analyzed using the multi-dispersion model(MDM)and the two-region nonequilibrium model(2RNE)with basic parameters calculated by CXTFIT and QTRACER2.Results showed that:(1)YQD flow system had a complex infiltration matrix with overland flow,conduit flow and fracture flow,while the MGQ flow system was dominated by conduit flow with fast flow transport velocity,but also small amount of fracture flow there;(2)They were well fitted based on the MDM(R^2=0.928)and 2RNE(R^2=0.947)models,indicating that they had strong adaptability in the karst trough zone;(3)conceptual models for YQD and MGQ groundwater systems were generalized.In YQD system,the solute was transported via overland flow during intense rainfall,while some infiltrated down into fissures and conduits.In MGQ system,most were directly transported to spring outlet in the fissureconduit network.展开更多
A microscopic understanding of the complex solute-defect interaction is pivotal for optimizing the alloy’s macroscopic mechanical properties.Simulating solute segregation in a plastically deformed crystalline system ...A microscopic understanding of the complex solute-defect interaction is pivotal for optimizing the alloy’s macroscopic mechanical properties.Simulating solute segregation in a plastically deformed crystalline system at atomic resolution remains challenging.The objective is to efficiently model and predict a phys-ically informed segregated solute distribution rather than simulating a series of diffusion kinetics.To ad-dress this objective,we coupled molecular dynamics(MD)and Monte Carlo(MC)methods using a novel method based on virtual atoms technique.We applied our MD-MC coupling approach to model off-lattice carbon(C)solute segregation in nanoindented Fe-C samples containing complex dislocation networks.Our coupling framework yielded the final configuration through efficient parallelization and localized en-ergy computations,showing C Cottrell atmospheres near dislocations.Different initial C concentrations resulted in a consistent trend of C atoms migrating from less crystalline distortion to high crystalline distortion regions.Besides unraveling the strong spatial correlation between local C concentration and defect regions,our results revealed two crucial aspects of solute segregation preferences:(1)defect ener-getics hierarchy and(2)tensile strain fields near dislocations.The proposed approach is generic and can be applied to other material systems as well.展开更多
With the evolution of nickel-based single crystal superalloys,there is an increase in heavy elements such as Re and Ru.This has made solutal convection more pronounced during the directional solidification process,lea...With the evolution of nickel-based single crystal superalloys,there is an increase in heavy elements such as Re and Ru.This has made solutal convection more pronounced during the directional solidification process,leading to solute redistribution and increasing the risk of casting defects such as low-angle grain boundaries.To avoid casting defects,downward directional solidification(DWS)method is adopted to eliminate solutal convection and change solute redistribution.However,there is currently no in-situ characterization or quantitative simulation studying the solute redistribution during DWS and upward directional solidification(UWS)processes.A multicomponent phase field simulation coupled with lattice Boltzmann method was employed to quantitatively investigate changes in dendrite morphology,solutal convection and deviation of dendrite tips from the perspective of solute redistribution during UWS and DWS processes.The simulation of microstructure agrees well with the experimental results.The mechanism that explains how solutal convection affects side branching behavior is depicted.A novel approach is introduced to characterize dendrite deviation,elucidating the reasons why defects are prone to occur under the influence of natural convection and solute redistribution.展开更多
Second period elements(B,C,N,and O)usually appear at the grain boundary(GB)and strongly affect the mechanical performance in austenitic stainless steels.Therefore,it is significant to investigate the effect of solute ...Second period elements(B,C,N,and O)usually appear at the grain boundary(GB)and strongly affect the mechanical performance in austenitic stainless steels.Therefore,it is significant to investigate the effect of solute elements(B,C,N,and O)on the GB.The first-principles calculation based on the density function theory was applied to explore the effect of B,C,N,and O onγ-FeΣ5(210)[001]GB.The GB energy,the segregation energy,the Voronoi volume,and the theoretical tensile test were calculated to investigate the segregation behavior and the strengthening effect.The structural change and electronic evolution were also investigated by bond change,charge density distribution,and density of states.The results show that B is favored to segregate at the capped trigonal prism(CTP)position with a large void and has a strengthening effect on the GB strength,while O and N are preferred to locate at the octahedral(OCT)site and have an embrittling effect on GB cohesion.C can segregate at both the CTP site and the OCT location with little energy difference.As C segregates at the OCT site,it is beneficial for GB strength.However,it is detrimental at the CTP position.It can be seen that the influence of solutes is closely related to the element type and segregated position.展开更多
A novel core-shell structured Al_(8)Mn_(4)Y-Al_(2)Ca phase and controllable solute-segregation are elaborately designed in dilute Mg-0.6Al-0.5Mn-0.1Ca-0.1Y alloy(wt.%),via incomplete peritectic transformation during t...A novel core-shell structured Al_(8)Mn_(4)Y-Al_(2)Ca phase and controllable solute-segregation are elaborately designed in dilute Mg-0.6Al-0.5Mn-0.1Ca-0.1Y alloy(wt.%),via incomplete peritectic transformation during twin-roll casting.When soaked in 3.5 wt.%NaCl solution,Al_(2)Ca shell with a low electrochemical potential prevents direct contact of noble Al_(8)Mn_(4)Y with Mg matrix,mitigating the micro-galvanic corrosion and meanwhile accelerating the formation of uniform corrosion film.Thereafter,solute(Al,Ca)-segregation motivates the formation of heterogeneous multilayered corrosion product films,enhancing corrosion resistance and even achieving self-healing upon long-term corrosion.Notably,the dilute Mg alloy exhibits a corrosion rate as low as 0.22±0.05 mm·y^(−1).展开更多
Interface segregation of solute atoms has a profound effect on properties of engineering alloys.In this study,we report a novel strategy for breaking the strength-ductility dilemma of Mg alloy via solute segregation.T...Interface segregation of solute atoms has a profound effect on properties of engineering alloys.In this study,we report a novel strategy for breaking the strength-ductility dilemma of Mg alloy via solute segregation.The hot extruded Mg-1.8Gd-0.3Zr(wt.%)alloy sheet was subjected to three different passes of rolling,and then heat-treated at 200℃.The high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)reveals a remarkable segregation of solute Gd atoms along high and low-angel grain boundaries(GBs).Under almost precipitation-free conditions,the strength and ductility of rolled alloy sheets are simultaneously improved after annealing.Especially for the annealed 3-passes-rolled specimen,the yield strength,ultimate tensile strength,and elongation are simultaneously increased by 11.2%,7.3%,and 18%,respectively.The solute segregation endows the rolled plate with excellent grain size stability and provides a prominent extra solute cluster strengthening,which completely resists the other softening effects,including dislocation annihilation and grain coarsening during the heating.Meanwhile,the directional migration of Gd atoms and the annihilation of dislocations provide a“clear”space within the grain,which is beneficial for the moving and accumulating of subsequent dislocations.This work sheds light on the solute partitioning behavior and realizes a good application of GB segregation in improving the comprehensive mechanical properties of Mg alloys.展开更多
In this study,a novel strategy for breaking the strength-ductility dilemma of Mg-1.5Zn-0.6Gd(wt%)alloy via solute segregation was reported.The hot extruded alloy sheet was subjected to rolling deformation,and then hea...In this study,a novel strategy for breaking the strength-ductility dilemma of Mg-1.5Zn-0.6Gd(wt%)alloy via solute segregation was reported.The hot extruded alloy sheet was subjected to rolling deformation,and then heat-treated at 200℃.The high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)reveals a remarkable segregation of solute Zn atoms along both high and lowangle grain boundaries(GBs).As compared with as-rolled plate,the yield strength,ultimate tensile strength,and the elongation of annealed sample is increased by 15.6%,14%,and 8.4%,respectively,acquiring an obvious strength-ductility synergy effect.The solute segregation endows the rolled plate with excellent grain size stability and provides a prominent extra solute cluster strengthening,which completely resists the other softening effects including dislocation annihilation and grain coarsening.Meanwhile,the directional migration of Zn atoms and the annihilation of dislocations provide a"clear"space within the grain,which is beneficial for the moving and accumulating of subsequent dislocations.This work sheds light on the solute partitioning behavior and realizes a good application of GB segregation in improving the comprehensive mechanical properties of Mg alloys.展开更多
In order to investigate the segregation process and clarify its effect on the formation of TiN during the solidification of a micro-alloy steel containing titanium(Ti),a new mathematical model concerning solute transp...In order to investigate the segregation process and clarify its effect on the formation of TiN during the solidification of a micro-alloy steel containing titanium(Ti),a new mathematical model concerning solute transportation,solidification,as well as TiN precipitation was successfully established and verified.The transportation of solute elements was described using the Brody-Fleming microsegregation model,while the thermodynamic principles governing the precipitation of TiN were derived within the framework of the model.Additionally,the model accounts for variations in the diffusion coefficient due to phase transition and the influence of non-equilibrium solidification on solute distribution.High-temperature tests were conducted to validate the mathematical model.Results show that during solidification,due to selective crystallization,there is positive segregation of Ti and N in the solidifying front.What’s more,due to the high cooling rate near the surface of this steel,negative segregation is easier to be formed in the surface area.The highest concentration of TiN precipitation is found in the 1/4 width of this steel.High-temperature experiment shows that when the solidifying front reaches the 1/4 width of the specimen,the concentration product of Ti and N elements biased at the solidifying front reaches the thermodynamic conditions of TiN precipitation,and exists a higher concentration of TiN distributed in this region.To address this phenomenon,a comparative analysis of the effects of cooling rate and initial solute element content on TiN precipitation behavior was conducted.An increase in the surface cooling rate accelerates the progression of the solidification front and diminishes solute segregation near the front,thereby reducing TiN precipitation.However,with the increase of the initial solute element content,the concentration product of Ti and N elements rises,then the content of TiN precipitation increases.The results of this model provide important insight into the micro segregation and TiN precipitation mechanism of the micro-alloy steels bearing titanium.展开更多
The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation ener...The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation energies.Here we propose novel electronic descriptors for grain-boundary segregation based on the valence,electronegativity and size of solutes.By integrating the non-local coordination number of surfaces,we build a predictive analytic framework for evaluating the segregation energies across various solutes,grain-boundary structures,and segregation sites.This framework uncovers not only the coupling rule of solutes and matrices,but also the origin of solute-segregation determinants,which stems from the d-and sp-states hybridization in alloying.Our scheme establishes a novel picture for grain-boundary segregation and provides a useful tool for the design of advanced alloys.展开更多
Grain boundary segregation(GBS)of solutes influences the grain size,texture,and strength of Mg wrought alloys.So far,solutes'GBS in Mg has mostly been investigated by qualitative experimental observations.In this ...Grain boundary segregation(GBS)of solutes influences the grain size,texture,and strength of Mg wrought alloys.So far,solutes'GBS in Mg has mostly been investigated by qualitative experimental observations.In this work,we develop a quantitative model to compute the grain boundary segregation energy(ΔE_(seg))in binary Mg based alloys that takes the relative atomic density of GB into account.The model is utilized to computeΔE_(seg)of Al,Zn,Ca,Sn,Y,Gd,and Nd solutes in Mg.The result suggests that rare earth elements and Ca are more prone to GBS than Al,Zn,and Sn.Segregation of Gd solutes can explain the smaller grain size and slower grain growth in Mg-Gd extruded alloys than Mg-Al and Mg-Zn counterparts.It also provides an explanation for the weak extrusion texture in Mg-Gd.展开更多
Updated version of local non-equilibrium diffusion model （LNDM） for rapid solidification of binary alloys was considered. The LNDM takes into account deviation from local equilibrium of solute concentration and solu...Updated version of local non-equilibrium diffusion model （LNDM） for rapid solidification of binary alloys was considered. The LNDM takes into account deviation from local equilibrium of solute concentration and solute flux fields in bulk liquid. The exact solutions for solute concentration and flux in bulk liquid were obtained using hyperbolic diffusion equations. The results show the transition from diffusion-limited to purely thermally controlled solidification with effective diffusion coefficient →0 and complete solute trapping KLNDM（v）→1 at v→vDb for any kind of solid-liquid interface kinetics. Critical parameter for diffusionless solidification and complete solute trapping is the diffusion speed in bulk liquid vDb. Different models for solute trapping at the interface with different interface kinetic approaches were considered.展开更多
[ Objective] The purpose was to discuss drought resistance mechanism of Chenopodium album L. and supply theoretical basis and practical guidance for artificial cultivation and popularization of C. album. [ Method] C. ...[ Objective] The purpose was to discuss drought resistance mechanism of Chenopodium album L. and supply theoretical basis and practical guidance for artificial cultivation and popularization of C. album. [ Method] C. album seedlings grown to 6th leaf stage were conducted osmotic stress treatment with PEG6000 osmotic whose concentration was set up as 0, 5%, 10% and 20% and the various physiological indices of the 3rd -5th function leaves in upper plant were determined after being treated for 0, 1,3, 5, 7 and 9 d. [ Result] Under osmotic stress with 5% PGE, the relative water content （RWC） of C. album reduced less. Under osmotic stress with 10%, the RWC in seedling leaves of C. album decreased to 62% on the fifth day and the leaves began to wither. Under osmotic stress with 20%, the RWC in seedling leaves of C. album decreased to 61.9% on the third day and the leaves appeared withering, and the RWC decreased to 48.6% on the 7th day and the leaves were dry and yellow. Proline contents in seedling leaves of C. album under osmotic stress with 5%, 10% and 20% PEG were 7.64, 10.9 and 29.4 times of CK on the 7th day. [ Conclusion] C. album hed some adaptability to moderate osmotic stress, but the PEG osmotic stress with high concentration and long time might lead to severe damage on C. album.展开更多
Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migrati...Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migration characteristic and solute segregation of interfaces were studied. It is found that the migration ability is related to the atomic structure of interfaces, and three kinds of interfaces can migrate except the interface （001）//（002） which has the characteristic of L12 （Ni3Al） structure. V atoms jump to the nearest neighbor site and substitute for Ni, and vice versa. Because of the site selectivity behaviors of jumping atoms, the number of jumping atoms during the migration is the least and the jumping distance of atoms is the shortest among all possible modes, and the atomic structures of interfaces are unchanged before and after the migration. The preferences and degree of segregation or depletion of alloy elements are also related to the atomic structure of interface.展开更多
Poly(methacrylic acid co-poloxamer) hydrogel networks were synthesized by free radical solution polymerization and their equilibrium swelling and solute permeation properties were characterized. These gels exhibited p...Poly(methacrylic acid co-poloxamer) hydrogel networks were synthesized by free radical solution polymerization and their equilibrium swelling and solute permeation properties were characterized. These gels exhibited pH dependant swelling and solute diffusivity due to the formation or disruption of hydrogen bonded complexation between methacrylic acid (MAA) and etheric (EO). In neutral and basic conditions (above the swelling transition pH), the copolymer swelling was greatly higher than acid condition. In complexed hydrogels, the diffusion coefficients of vitamin B12 (VB12) were in the range of 10-10 to 10-7 cm2s-1; While in uncomplexed hydrogels, the values were about 210-6 cm2s-1. The comonomer composition and synthesis conditions have great effect on the structure, and thereby, swelling and solute diffusion characteristics of the resultant hydrogels. For the copolymers with composition of less than or more than 1:1 MAA/EO molar ratio, the plot of lnD vs 1/H-1 followed two different linear equations of 慺ree volume theory? respectively.展开更多
Based on the assumption that solute transport in a semi-infinite soil columnor in a field soil profile can be described by the boundary-layer method, an analytical solution ispresented for the advance of a solute fron...Based on the assumption that solute transport in a semi-infinite soil columnor in a field soil profile can be described by the boundary-layer method, an analytical solution ispresented for the advance of a solute front with time. The traditional convection-dispersionequation (CDE) subjected to two boundary conditions: 1) at the soil surface (or inlet boundary) and2) at the solute front, was solved using a Laplace transformation. A comparison of residentconcentrations using a boundary-layer method and an exact solution (in a semi-infinite-domain)showed that both were in good agreement within the range between the two boundaries. This led to anew method for estimating solute transport parameters in soils, requiring only observation ofadvance of the solute front with time. This may be corroborated visually using a tracer solutionwith marking-dye or measured utilizing time domain reflectometry (TDR). This method is applicable toboth laboratory soil columns and field soils. Thus, it could be a step forward for modeling solutetransport in field soils and for better understanding of the transport processes in soils.展开更多
BACKGROUND Metabolic reprogramming has been identified as a core hallmark of cancer.Solute carrier family 2 is a major glucose carrier family.It consists of 14 members,and we mainly study solute carrier family 2 membe...BACKGROUND Metabolic reprogramming has been identified as a core hallmark of cancer.Solute carrier family 2 is a major glucose carrier family.It consists of 14 members,and we mainly study solute carrier family 2 member 1(SLC2A1)and solute carrier family 2 member 2(SLC2A2)here.SLC2A1,mainly existing in human erythrocytes,brain endothelial cells,and normal placenta,was found to be increased in hepatocellular carcinoma(HCC),while SLC2A2,the major transporter of the normal liver,was decreased in HCC.AIM To identify if SLC2A1 and SLC2A2 were associated with immune infiltration in addition to participating in the metabolic reprogramming in HCC.METHODS The expression levels of SLC2A1 and SLC2A2 were tested in HepG2 cells,HepG215 cells,and multiple databases.The clinical characteristics and survival data of SLC2A1 and SLC2A2 were examined by multiple databases.The correlation between SLC2A1 and SLC2A2 was analyzed by multiple databases.The functions and pathways in which SLC2A1,SLC2A2,and frequently altered neighbor genes were involved were discussed in String.Immune infiltration levels and immune marker genes associated with SLC2A1 and SLC2A2 were discussed from multiple databases.RESULTS The expression level of SLC2A1 was up-regulated,but the expression level of SLC2A2 was down-regulated in HepG2 cells,HepG215 cells,and liver cancer patients.The expression levels of SLC2A1 and SLC2A2 were related to tumor volume,grade,and stage in HCC.Interestingly,the expression levels of SLC2A1 and SLC2A2 were negatively correlated.Further,high SLC2A1 expression and low SLC2A2 expression were linked to poor overall survival and relapse-free survival.SLC2A1,SLC2A2,and frequently altered neighbor genes played a major role in the occurrence and development of tumors.Notably,SLC2A1 was positively correlated with tumor immune infiltration,while SLC2A2 was negatively correlated with tumor immune infiltration.Particularly,SLC2A2 methylation was positively correlated with lymphocytes.CONCLUSION SLC2A1 and SLC2A2 are independent therapeutic targets for HCC,and they are quintessential marker molecules for predicting and regulating the number and status of immune cells in HCC.展开更多
Most studies on solute transport in coastal aquifers affected by tides focus on the transport of instantaneous released solute,and there are few studies on continuously released solute affected by tides.In this study,...Most studies on solute transport in coastal aquifers affected by tides focus on the transport of instantaneous released solute,and there are few studies on continuously released solute affected by tides.In this study,the image monitoring method is used to establish the quantitative relationship between the concentration of the colored tracer and the hue value of the image,and the digital image is used to determine the tracer concentration distribution.Using image monitoring method laboratory experiments,quantitative analysis of the characteristics of continuously released solute transport in coastal unconfined aquifers under the tidal influence.Experiments show that the high tide inhibits the increase in the concentration of each point in the aquifer.Under the influence of tides,the solute plume retreats towards the land.During the low tide period,the solute plume migrates toward the sea again.And the solute plume will maintain a relatively stable shape after entering the aquifer for a long enough time.Ignoring the tidal effect seems to have little effect on the estimation of the position of the solute plume,but ignoring the tidal effect has a certain influence on the estimation of the dispersion range of the solute plume.No matter whether considering the tidal action,the final dispersion range of the solute plume is almost the same.But before the solute plume reaches a stable state,ignoring the tidal effect will lead to a smaller dispersion range of the solute plume.展开更多
One of the greatest challenges in critical zone studies is to document the moisture dynamics, water flux,and solute chemistry of the unsaturated, fractured and weathered bedrock that lies between the soil and groundwa...One of the greatest challenges in critical zone studies is to document the moisture dynamics, water flux,and solute chemistry of the unsaturated, fractured and weathered bedrock that lies between the soil and groundwater table. The central impediment to quantifying this component of the subsurface is the difficulty associated with direct observations. Here, we report solute chemistry as a function of depth collected over a full year across the shale-derived vadose zone of the Eel River Critical Zone Observatory using a set of novel sub-horizontal wellbores,referred to as the vadose zone monitoring system. The results of this first geochemical glimpse into the deep vadose zone indicate a dynamic temporal and depth-resolved structure. Major cation concentrations reflect seasonal changes in precipitation and water saturation, and normalized ratios span the full range of values reported for the world's largest rivers.展开更多
A solute trapping model is developed based on a so-called solute drag treatment.By adopting a basic approach of phase-field models,and defining the free energy density in the interfacial region,a suitable interface sh...A solute trapping model is developed based on a so-called solute drag treatment.By adopting a basic approach of phase-field models,and defining the free energy density in the interfacial region,a suitable interface shape function is introduced to derive the current model,in which the equilibrium and non-equilibrium interface behaviours can be described using a dimensionless parameter L (i.e.an important parameter in the present interface shape function).When applying the current model to Si-9%As (molar fraction) alloy with L=0.5,a good prediction of the steeper profile for high interface velocity,which is analogous to that using a phase-field model of DANILOV and NESLTER,has been obtained.展开更多
In agricultural catchments where groundwater (GW) base flow discharge contributes substantially towards stream flow, the information linking GW inflow/outflow with contaminant import/export is scarce. However, this in...In agricultural catchments where groundwater (GW) base flow discharge contributes substantially towards stream flow, the information linking GW inflow/outflow with contaminant import/export is scarce. However, this information is essential to address aquatic ecosystem health hazard/risk associated with nitrate export and subsequent loading in sensitive surface water bodies (SWB). The objectives of this study were to assess the temporal dynamics of (i) rain water inflow/outflow behaviour in three agricultural catchments in the humid tropics of far-northeast Queensland of Australia, (ii) solute import via inflow and subsequent export in outflow, and (iii) the association between GW inflow/outflow and solute import/export. Approximately 71% of the average seasonal rainfall percolated (inflow) into the porous basaltic regolith of the Johnstone River Catchment (JRC) compared with 44% into the alluvial regolith in the Mulgrave River Catchment (MRC) and 29% into the metamorphic regolith in the Tully River Catchment (TRC), respectively. The outflows from the basaltic, alluvial, and metamorphic regoliths were 56%, 36%, and 55% of the inflows, respectively. The cumulative nitrate import per season was 25 k/ha in the JRC compared with 11 kg/ha in MRC and 34 kg/ha in TRC. The corresponding exports were 24 kg/ha, 8 kg/ha 26 kg/ha in JRC, MRC, and TRC, respectively. The total dissolved solute (TDS) exports were 82%, 77%, 75%, of the corresponding imports in JRC, MRC, and TRC, respectively. Simple correlations indicated that nitrate export was positively correlated with the outflow in each one of the regolith and similar trends were observed between inflow and import. The import/export mass balance for nitrate shows that 73% to 96% of the imports were exported during the same rainy season, suggesting the potential for nitrate associated ecosystem health hazard/risk in sensitive SWB receiving the outflows.展开更多
基金supported by the National Natural Science Foundation of China(Nos.42007178 and 41907327)the Natural Science Foundation of Hubei(Nos.2020CFB463 and 2019CFB372)+4 种基金China Geological Survey(Nos.DD20160304 and DD20190824)Fundamental Research Funds for the Central Universities(Nos.CUG 190644 and CUGL180817)National Key Research and Development Program(No.2019YFC1805502)Key Laboratory of Karst Dynamics,MNR and GZAR(Institute of Karst Geology,CAGS)Guilin(No.KDL201703)Key Laboratory of Karst Ecosystem and Treatment of Rocky Desertification,MNR and IRCK by UNESCO(No.KDL201903)。
文摘To investigate groundwater flow and solute transport characteristics of the karst trough zone in China,tracer experiments were conducted at two adjacent typical karst groundwater flow systems(Yuquandong(YQD)and Migongquan(MGQ))in Sixi valley,western Hubei,China.Highresolution continuous monitoring was utilized to obtain breakthrough curves(BTCs),which were then analyzed using the multi-dispersion model(MDM)and the two-region nonequilibrium model(2RNE)with basic parameters calculated by CXTFIT and QTRACER2.Results showed that:(1)YQD flow system had a complex infiltration matrix with overland flow,conduit flow and fracture flow,while the MGQ flow system was dominated by conduit flow with fast flow transport velocity,but also small amount of fracture flow there;(2)They were well fitted based on the MDM(R^2=0.928)and 2RNE(R^2=0.947)models,indicating that they had strong adaptability in the karst trough zone;(3)conceptual models for YQD and MGQ groundwater systems were generalized.In YQD system,the solute was transported via overland flow during intense rainfall,while some infiltrated down into fissures and conduits.In MGQ system,most were directly transported to spring outlet in the fissureconduit network.
基金the funding from the Ger-man Research Foundation(DFG)-BE 5360/1-1 and ThyssenKrupp Europe.
文摘A microscopic understanding of the complex solute-defect interaction is pivotal for optimizing the alloy’s macroscopic mechanical properties.Simulating solute segregation in a plastically deformed crystalline system at atomic resolution remains challenging.The objective is to efficiently model and predict a phys-ically informed segregated solute distribution rather than simulating a series of diffusion kinetics.To ad-dress this objective,we coupled molecular dynamics(MD)and Monte Carlo(MC)methods using a novel method based on virtual atoms technique.We applied our MD-MC coupling approach to model off-lattice carbon(C)solute segregation in nanoindented Fe-C samples containing complex dislocation networks.Our coupling framework yielded the final configuration through efficient parallelization and localized en-ergy computations,showing C Cottrell atmospheres near dislocations.Different initial C concentrations resulted in a consistent trend of C atoms migrating from less crystalline distortion to high crystalline distortion regions.Besides unraveling the strong spatial correlation between local C concentration and defect regions,our results revealed two crucial aspects of solute segregation preferences:(1)defect ener-getics hierarchy and(2)tensile strain fields near dislocations.The proposed approach is generic and can be applied to other material systems as well.
基金supported by the stable support project and the Major National Science and Technology Project(2017-VII-0008-0101).
文摘With the evolution of nickel-based single crystal superalloys,there is an increase in heavy elements such as Re and Ru.This has made solutal convection more pronounced during the directional solidification process,leading to solute redistribution and increasing the risk of casting defects such as low-angle grain boundaries.To avoid casting defects,downward directional solidification(DWS)method is adopted to eliminate solutal convection and change solute redistribution.However,there is currently no in-situ characterization or quantitative simulation studying the solute redistribution during DWS and upward directional solidification(UWS)processes.A multicomponent phase field simulation coupled with lattice Boltzmann method was employed to quantitatively investigate changes in dendrite morphology,solutal convection and deviation of dendrite tips from the perspective of solute redistribution during UWS and DWS processes.The simulation of microstructure agrees well with the experimental results.The mechanism that explains how solutal convection affects side branching behavior is depicted.A novel approach is introduced to characterize dendrite deviation,elucidating the reasons why defects are prone to occur under the influence of natural convection and solute redistribution.
基金supported by National Key R&D Program of China(No.2022YFB3705202)National Natural Science Foundation of China(Nos.51831008,52171049 and 52104330).
文摘Second period elements(B,C,N,and O)usually appear at the grain boundary(GB)and strongly affect the mechanical performance in austenitic stainless steels.Therefore,it is significant to investigate the effect of solute elements(B,C,N,and O)on the GB.The first-principles calculation based on the density function theory was applied to explore the effect of B,C,N,and O onγ-FeΣ5(210)[001]GB.The GB energy,the segregation energy,the Voronoi volume,and the theoretical tensile test were calculated to investigate the segregation behavior and the strengthening effect.The structural change and electronic evolution were also investigated by bond change,charge density distribution,and density of states.The results show that B is favored to segregate at the capped trigonal prism(CTP)position with a large void and has a strengthening effect on the GB strength,while O and N are preferred to locate at the octahedral(OCT)site and have an embrittling effect on GB cohesion.C can segregate at both the CTP site and the OCT location with little energy difference.As C segregates at the OCT site,it is beneficial for GB strength.However,it is detrimental at the CTP position.It can be seen that the influence of solutes is closely related to the element type and segregated position.
基金supported by National Natural Science Foundation of China under Grant Nos.52234009 and 52274383Partial financial support came from the Fundamental Research Funds for the Central Universities,JLU,Program for JLU Science and Technology Innovative Research Team(JLUSTIRT,2017TD-09)Program for the Central University Youth Innovation Team.
文摘A novel core-shell structured Al_(8)Mn_(4)Y-Al_(2)Ca phase and controllable solute-segregation are elaborately designed in dilute Mg-0.6Al-0.5Mn-0.1Ca-0.1Y alloy(wt.%),via incomplete peritectic transformation during twin-roll casting.When soaked in 3.5 wt.%NaCl solution,Al_(2)Ca shell with a low electrochemical potential prevents direct contact of noble Al_(8)Mn_(4)Y with Mg matrix,mitigating the micro-galvanic corrosion and meanwhile accelerating the formation of uniform corrosion film.Thereafter,solute(Al,Ca)-segregation motivates the formation of heterogeneous multilayered corrosion product films,enhancing corrosion resistance and even achieving self-healing upon long-term corrosion.Notably,the dilute Mg alloy exhibits a corrosion rate as low as 0.22±0.05 mm·y^(−1).
基金supported by the National Natural Science Foundation of China(No.52225101)the Fundamental Research Funds for the Central Universities(2023CDJYXTD-002)+1 种基金supported by the Special Fund for Special Posts of Guizhou University(No.202353)Guizhou Provincial Basic Research Program(Natural Science)(Qingnian Yindao No.2024-123).
文摘Interface segregation of solute atoms has a profound effect on properties of engineering alloys.In this study,we report a novel strategy for breaking the strength-ductility dilemma of Mg alloy via solute segregation.The hot extruded Mg-1.8Gd-0.3Zr(wt.%)alloy sheet was subjected to three different passes of rolling,and then heat-treated at 200℃.The high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)reveals a remarkable segregation of solute Gd atoms along high and low-angel grain boundaries(GBs).Under almost precipitation-free conditions,the strength and ductility of rolled alloy sheets are simultaneously improved after annealing.Especially for the annealed 3-passes-rolled specimen,the yield strength,ultimate tensile strength,and elongation are simultaneously increased by 11.2%,7.3%,and 18%,respectively.The solute segregation endows the rolled plate with excellent grain size stability and provides a prominent extra solute cluster strengthening,which completely resists the other softening effects,including dislocation annihilation and grain coarsening during the heating.Meanwhile,the directional migration of Gd atoms and the annihilation of dislocations provide a“clear”space within the grain,which is beneficial for the moving and accumulating of subsequent dislocations.This work sheds light on the solute partitioning behavior and realizes a good application of GB segregation in improving the comprehensive mechanical properties of Mg alloys.
基金Project supported by the National Natural Science Foundation of China(52301041)Guizhou Provincial Science and Technology Projects(Qingnian No.2024-123)the Special Fund for Special Posts of Guizhou University(2023-26,2023-53)。
文摘In this study,a novel strategy for breaking the strength-ductility dilemma of Mg-1.5Zn-0.6Gd(wt%)alloy via solute segregation was reported.The hot extruded alloy sheet was subjected to rolling deformation,and then heat-treated at 200℃.The high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)reveals a remarkable segregation of solute Zn atoms along both high and lowangle grain boundaries(GBs).As compared with as-rolled plate,the yield strength,ultimate tensile strength,and the elongation of annealed sample is increased by 15.6%,14%,and 8.4%,respectively,acquiring an obvious strength-ductility synergy effect.The solute segregation endows the rolled plate with excellent grain size stability and provides a prominent extra solute cluster strengthening,which completely resists the other softening effects including dislocation annihilation and grain coarsening.Meanwhile,the directional migration of Zn atoms and the annihilation of dislocations provide a"clear"space within the grain,which is beneficial for the moving and accumulating of subsequent dislocations.This work sheds light on the solute partitioning behavior and realizes a good application of GB segregation in improving the comprehensive mechanical properties of Mg alloys.
基金supported by the National Natural Science Foundation of China(Grant Nos.52174321,52274339,52204348)the Jiangsu Achievement Transformation Fund Project(Grant No.SBA2023030047)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.KYCX24_3310).
文摘In order to investigate the segregation process and clarify its effect on the formation of TiN during the solidification of a micro-alloy steel containing titanium(Ti),a new mathematical model concerning solute transportation,solidification,as well as TiN precipitation was successfully established and verified.The transportation of solute elements was described using the Brody-Fleming microsegregation model,while the thermodynamic principles governing the precipitation of TiN were derived within the framework of the model.Additionally,the model accounts for variations in the diffusion coefficient due to phase transition and the influence of non-equilibrium solidification on solute distribution.High-temperature tests were conducted to validate the mathematical model.Results show that during solidification,due to selective crystallization,there is positive segregation of Ti and N in the solidifying front.What’s more,due to the high cooling rate near the surface of this steel,negative segregation is easier to be formed in the surface area.The highest concentration of TiN precipitation is found in the 1/4 width of this steel.High-temperature experiment shows that when the solidifying front reaches the 1/4 width of the specimen,the concentration product of Ti and N elements biased at the solidifying front reaches the thermodynamic conditions of TiN precipitation,and exists a higher concentration of TiN distributed in this region.To address this phenomenon,a comparative analysis of the effects of cooling rate and initial solute element content on TiN precipitation behavior was conducted.An increase in the surface cooling rate accelerates the progression of the solidification front and diminishes solute segregation near the front,thereby reducing TiN precipitation.However,with the increase of the initial solute element content,the concentration product of Ti and N elements rises,then the content of TiN precipitation increases.The results of this model provide important insight into the micro segregation and TiN precipitation mechanism of the micro-alloy steels bearing titanium.
基金support from the National Natural Science Foundation of China(Nos.22173034,11974128,52130101)the Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure(No.SKL202206SIC)+2 种基金the Program of Innovative Research Team(in Science and Technology)in University of Jilin Province,the Program for JLU(Jilin University)Science and Technology Innovative Research Team(No.2017TD-09)the Fundamental Research Funds for the Central Universitiesthe computing resources of the High Performance Computing Center of Jilin University,China.
文摘The control of solute segregation at grain boundaries is of significance in engineering alloy properties.However,there is currently a lack of a physics-informed predictive model for estimating solute segre-gation energies.Here we propose novel electronic descriptors for grain-boundary segregation based on the valence,electronegativity and size of solutes.By integrating the non-local coordination number of surfaces,we build a predictive analytic framework for evaluating the segregation energies across various solutes,grain-boundary structures,and segregation sites.This framework uncovers not only the coupling rule of solutes and matrices,but also the origin of solute-segregation determinants,which stems from the d-and sp-states hybridization in alloying.Our scheme establishes a novel picture for grain-boundary segregation and provides a useful tool for the design of advanced alloys.
基金supported by the National Key Research and Development Program of China(No.2021YFB3702602)the National Natural Science Foundation of China(Nos.51825101,52425101)。
文摘Grain boundary segregation(GBS)of solutes influences the grain size,texture,and strength of Mg wrought alloys.So far,solutes'GBS in Mg has mostly been investigated by qualitative experimental observations.In this work,we develop a quantitative model to compute the grain boundary segregation energy(ΔE_(seg))in binary Mg based alloys that takes the relative atomic density of GB into account.The model is utilized to computeΔE_(seg)of Al,Zn,Ca,Sn,Y,Gd,and Nd solutes in Mg.The result suggests that rare earth elements and Ca are more prone to GBS than Al,Zn,and Sn.Segregation of Gd solutes can explain the smaller grain size and slower grain growth in Mg-Gd extruded alloys than Mg-Al and Mg-Zn counterparts.It also provides an explanation for the weak extrusion texture in Mg-Gd.
文摘Updated version of local non-equilibrium diffusion model （LNDM） for rapid solidification of binary alloys was considered. The LNDM takes into account deviation from local equilibrium of solute concentration and solute flux fields in bulk liquid. The exact solutions for solute concentration and flux in bulk liquid were obtained using hyperbolic diffusion equations. The results show the transition from diffusion-limited to purely thermally controlled solidification with effective diffusion coefficient →0 and complete solute trapping KLNDM（v）→1 at v→vDb for any kind of solid-liquid interface kinetics. Critical parameter for diffusionless solidification and complete solute trapping is the diffusion speed in bulk liquid vDb. Different models for solute trapping at the interface with different interface kinetic approaches were considered.
基金Supported by the Natural Science Foundation of Education Department of Jiangsu Province(02KJD18007)the Key Laboratory Program of Bio-re-sources of Jiangsu Province(KJS03042)the Key Program of Natural Science Foundation of Xuzhou Normal University(06XLA11)~~
文摘[ Objective] The purpose was to discuss drought resistance mechanism of Chenopodium album L. and supply theoretical basis and practical guidance for artificial cultivation and popularization of C. album. [ Method] C. album seedlings grown to 6th leaf stage were conducted osmotic stress treatment with PEG6000 osmotic whose concentration was set up as 0, 5%, 10% and 20% and the various physiological indices of the 3rd -5th function leaves in upper plant were determined after being treated for 0, 1,3, 5, 7 and 9 d. [ Result] Under osmotic stress with 5% PGE, the relative water content （RWC） of C. album reduced less. Under osmotic stress with 10%, the RWC in seedling leaves of C. album decreased to 62% on the fifth day and the leaves began to wither. Under osmotic stress with 20%, the RWC in seedling leaves of C. album decreased to 61.9% on the third day and the leaves appeared withering, and the RWC decreased to 48.6% on the 7th day and the leaves were dry and yellow. Proline contents in seedling leaves of C. album under osmotic stress with 5%, 10% and 20% PEG were 7.64, 10.9 and 29.4 times of CK on the 7th day. [ Conclusion] C. album hed some adaptability to moderate osmotic stress, but the PEG osmotic stress with high concentration and long time might lead to severe damage on C. album.
基金Projects (50941020, 10902086, 50875217, 20903075) supported by the National Natural Science Foundation of ChinaProjects (SJ08-ZT05, SJ08-B14) supported by the Natural Science Foundation of Shaanxi Province, ChinaProject (CX200905) supported by the Doctorate Foundation of Northwestern Polytechnical University, China
文摘Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migration characteristic and solute segregation of interfaces were studied. It is found that the migration ability is related to the atomic structure of interfaces, and three kinds of interfaces can migrate except the interface （001）//（002） which has the characteristic of L12 （Ni3Al） structure. V atoms jump to the nearest neighbor site and substitute for Ni, and vice versa. Because of the site selectivity behaviors of jumping atoms, the number of jumping atoms during the migration is the least and the jumping distance of atoms is the shortest among all possible modes, and the atomic structures of interfaces are unchanged before and after the migration. The preferences and degree of segregation or depletion of alloy elements are also related to the atomic structure of interface.
文摘Poly(methacrylic acid co-poloxamer) hydrogel networks were synthesized by free radical solution polymerization and their equilibrium swelling and solute permeation properties were characterized. These gels exhibited pH dependant swelling and solute diffusivity due to the formation or disruption of hydrogen bonded complexation between methacrylic acid (MAA) and etheric (EO). In neutral and basic conditions (above the swelling transition pH), the copolymer swelling was greatly higher than acid condition. In complexed hydrogels, the diffusion coefficients of vitamin B12 (VB12) were in the range of 10-10 to 10-7 cm2s-1; While in uncomplexed hydrogels, the values were about 210-6 cm2s-1. The comonomer composition and synthesis conditions have great effect on the structure, and thereby, swelling and solute diffusion characteristics of the resultant hydrogels. For the copolymers with composition of less than or more than 1:1 MAA/EO molar ratio, the plot of lnD vs 1/H-1 followed two different linear equations of 慺ree volume theory? respectively.
基金Project supported by the National Key Basic Research Support Foundation of China (No. 2000018605) the National Natural Science Foundation of China (Nos. 40025106 and 40371060).
文摘Based on the assumption that solute transport in a semi-infinite soil columnor in a field soil profile can be described by the boundary-layer method, an analytical solution ispresented for the advance of a solute front with time. The traditional convection-dispersionequation (CDE) subjected to two boundary conditions: 1) at the soil surface (or inlet boundary) and2) at the solute front, was solved using a Laplace transformation. A comparison of residentconcentrations using a boundary-layer method and an exact solution (in a semi-infinite-domain)showed that both were in good agreement within the range between the two boundaries. This led to anew method for estimating solute transport parameters in soils, requiring only observation ofadvance of the solute front with time. This may be corroborated visually using a tracer solutionwith marking-dye or measured utilizing time domain reflectometry (TDR). This method is applicable toboth laboratory soil columns and field soils. Thus, it could be a step forward for modeling solutetransport in field soils and for better understanding of the transport processes in soils.
基金Supported by National Natural Science Foundation of China,No.81873112Natural Science Foundation of Hebei Province,No.H2020423009+2 种基金Hundred Outstanding Innovative Talents Support Program of Universities in Hebei Province,No.SLRC2019043Basic Scientific Research Project of Hebei Provincial Colleges and Universities,No.JTZ2020005Scientific and Technological Capability Improvement Project of the Hebei University of Chinese Medicine,No.KTZ2019002.
文摘BACKGROUND Metabolic reprogramming has been identified as a core hallmark of cancer.Solute carrier family 2 is a major glucose carrier family.It consists of 14 members,and we mainly study solute carrier family 2 member 1(SLC2A1)and solute carrier family 2 member 2(SLC2A2)here.SLC2A1,mainly existing in human erythrocytes,brain endothelial cells,and normal placenta,was found to be increased in hepatocellular carcinoma(HCC),while SLC2A2,the major transporter of the normal liver,was decreased in HCC.AIM To identify if SLC2A1 and SLC2A2 were associated with immune infiltration in addition to participating in the metabolic reprogramming in HCC.METHODS The expression levels of SLC2A1 and SLC2A2 were tested in HepG2 cells,HepG215 cells,and multiple databases.The clinical characteristics and survival data of SLC2A1 and SLC2A2 were examined by multiple databases.The correlation between SLC2A1 and SLC2A2 was analyzed by multiple databases.The functions and pathways in which SLC2A1,SLC2A2,and frequently altered neighbor genes were involved were discussed in String.Immune infiltration levels and immune marker genes associated with SLC2A1 and SLC2A2 were discussed from multiple databases.RESULTS The expression level of SLC2A1 was up-regulated,but the expression level of SLC2A2 was down-regulated in HepG2 cells,HepG215 cells,and liver cancer patients.The expression levels of SLC2A1 and SLC2A2 were related to tumor volume,grade,and stage in HCC.Interestingly,the expression levels of SLC2A1 and SLC2A2 were negatively correlated.Further,high SLC2A1 expression and low SLC2A2 expression were linked to poor overall survival and relapse-free survival.SLC2A1,SLC2A2,and frequently altered neighbor genes played a major role in the occurrence and development of tumors.Notably,SLC2A1 was positively correlated with tumor immune infiltration,while SLC2A2 was negatively correlated with tumor immune infiltration.Particularly,SLC2A2 methylation was positively correlated with lymphocytes.CONCLUSION SLC2A1 and SLC2A2 are independent therapeutic targets for HCC,and they are quintessential marker molecules for predicting and regulating the number and status of immune cells in HCC.
基金supported by the National Natural Science Foundation of China(No.42172281)the Opening Fund of the State Key Laboratory of China University of Geosciences(Wuhan)(No.SKJ2018055)。
文摘Most studies on solute transport in coastal aquifers affected by tides focus on the transport of instantaneous released solute,and there are few studies on continuously released solute affected by tides.In this study,the image monitoring method is used to establish the quantitative relationship between the concentration of the colored tracer and the hue value of the image,and the digital image is used to determine the tracer concentration distribution.Using image monitoring method laboratory experiments,quantitative analysis of the characteristics of continuously released solute transport in coastal unconfined aquifers under the tidal influence.Experiments show that the high tide inhibits the increase in the concentration of each point in the aquifer.Under the influence of tides,the solute plume retreats towards the land.During the low tide period,the solute plume migrates toward the sea again.And the solute plume will maintain a relatively stable shape after entering the aquifer for a long enough time.Ignoring the tidal effect seems to have little effect on the estimation of the position of the solute plume,but ignoring the tidal effect has a certain influence on the estimation of the dispersion range of the solute plume.No matter whether considering the tidal action,the final dispersion range of the solute plume is almost the same.But before the solute plume reaches a stable state,ignoring the tidal effect will lead to a smaller dispersion range of the solute plume.
基金supported by the US National Science Foundation,Project EAR-1331904 for the Eel River Critical Zone Observatory
文摘One of the greatest challenges in critical zone studies is to document the moisture dynamics, water flux,and solute chemistry of the unsaturated, fractured and weathered bedrock that lies between the soil and groundwater table. The central impediment to quantifying this component of the subsurface is the difficulty associated with direct observations. Here, we report solute chemistry as a function of depth collected over a full year across the shale-derived vadose zone of the Eel River Critical Zone Observatory using a set of novel sub-horizontal wellbores,referred to as the vadose zone monitoring system. The results of this first geochemical glimpse into the deep vadose zone indicate a dynamic temporal and depth-resolved structure. Major cation concentrations reflect seasonal changes in precipitation and water saturation, and normalized ratios span the full range of values reported for the world's largest rivers.
基金Projects(50501020, 50395103, 50431030) supported by the National Natural Science Foundation of China Project(NCET-05-870) supported by Program for New Century Excellent Talents in University of China Project(CX200706) supported by the Doctorate Foundation of Northwestern Polytechnical University,China
文摘A solute trapping model is developed based on a so-called solute drag treatment.By adopting a basic approach of phase-field models,and defining the free energy density in the interfacial region,a suitable interface shape function is introduced to derive the current model,in which the equilibrium and non-equilibrium interface behaviours can be described using a dimensionless parameter L (i.e.an important parameter in the present interface shape function).When applying the current model to Si-9%As (molar fraction) alloy with L=0.5,a good prediction of the steeper profile for high interface velocity,which is analogous to that using a phase-field model of DANILOV and NESLTER,has been obtained.
文摘In agricultural catchments where groundwater (GW) base flow discharge contributes substantially towards stream flow, the information linking GW inflow/outflow with contaminant import/export is scarce. However, this information is essential to address aquatic ecosystem health hazard/risk associated with nitrate export and subsequent loading in sensitive surface water bodies (SWB). The objectives of this study were to assess the temporal dynamics of (i) rain water inflow/outflow behaviour in three agricultural catchments in the humid tropics of far-northeast Queensland of Australia, (ii) solute import via inflow and subsequent export in outflow, and (iii) the association between GW inflow/outflow and solute import/export. Approximately 71% of the average seasonal rainfall percolated (inflow) into the porous basaltic regolith of the Johnstone River Catchment (JRC) compared with 44% into the alluvial regolith in the Mulgrave River Catchment (MRC) and 29% into the metamorphic regolith in the Tully River Catchment (TRC), respectively. The outflows from the basaltic, alluvial, and metamorphic regoliths were 56%, 36%, and 55% of the inflows, respectively. The cumulative nitrate import per season was 25 k/ha in the JRC compared with 11 kg/ha in MRC and 34 kg/ha in TRC. The corresponding exports were 24 kg/ha, 8 kg/ha 26 kg/ha in JRC, MRC, and TRC, respectively. The total dissolved solute (TDS) exports were 82%, 77%, 75%, of the corresponding imports in JRC, MRC, and TRC, respectively. Simple correlations indicated that nitrate export was positively correlated with the outflow in each one of the regolith and similar trends were observed between inflow and import. The import/export mass balance for nitrate shows that 73% to 96% of the imports were exported during the same rainy season, suggesting the potential for nitrate associated ecosystem health hazard/risk in sensitive SWB receiving the outflows.
