We present quasi-exact ab initio path integral Monte Carlo(PIMC)results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime,from solid density conditions to the...We present quasi-exact ab initio path integral Monte Carlo(PIMC)results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime,from solid density conditions to the strongly compressed case.The full dynamic treatment of electrons and protons on the same footing allows us to rigorously quantify both electronic and ionic exchange–correlation effects in the system,and to compare the results with those of earlier incomplete models such as the archetypal uniform electron gas or electrons in a fixed ion snapshot potential that do not take into account the interplay between the two constituents.The full electronic density response is highly sensitive to electronic localization around the ions,and our results constitute unambiguous predictions for upcoming X-ray Thomson scattering experiments with hydrogen jets and fusion plasmas.All PIMC results are made freely available and can be used directly for a gamut of applications,including inertial confinement fusion calculations and the modeling of dense astrophysical objects.Moreover,they constitute invaluable benchmark data for approximate but computationally less demanding approaches such as density functional theory or PIMC within the fixed-node approximation.展开更多
An accurate theoretical description of the dynamic properties of correlated quantum many-body systems,such as the dynamic structure factor S(q,ω),is important in many fields.Unfortunately,highly accurate quantum Mont...An accurate theoretical description of the dynamic properties of correlated quantum many-body systems,such as the dynamic structure factor S(q,ω),is important in many fields.Unfortunately,highly accurate quantum Monte Carlo methods are usually restricted to the imaginary time domain,and the analytic continuation of the imaginary-time density–density correlation function F(q,τ)to real frequencies is a notoriously hard problem.Here,it is argued that often no such analytic continuation is required because by definition,F(q,τ)contains the same physical information as does S(q,ω),only represented unfamiliarly.Specifically,it is shown how one can directly extract key information such as the temperature or quasi-particle excitation energies from theτdomain,which is highly relevant for equation-of-state measurements of matter under extreme conditions[T.Dornheim et al.,Nat.Commun.13,7911(2022)].As a practical example,ab initio path-integral Monte Carlo results for the uniform electron gas(UEG)are considered,and it is shown that even nontrivial processes such as the roton feature of the UEG at low density[T.Dornheim et al.,Commun.Phys.5,304(2022)]are manifested straightforwardly in F(q,τ).A comprehensive overview is given of various useful properties of F(q,τ)and how it relates to the usual dynamic structure factor.In fact,working directly in theτdomain is advantageous for many reasons and opens up multiple avenues for future applications.展开更多
An induction levitation melting (ILM) refining process is performed to remove most microsized inclusions in ultra-low carbon steel (UCS). Nanosized, spheroid shaped sulfide precipitates remain dispersed in the UCS...An induction levitation melting (ILM) refining process is performed to remove most microsized inclusions in ultra-low carbon steel (UCS). Nanosized, spheroid shaped sulfide precipitates remain dispersed in the UCS. During the ILM process, the UCS is molten and is rotated under an upward magnetic field. With the addition of Ti additives, the spinning molten steel under the upward magnetic field ejects particles because of resultant centrifugal, floating, and magnetic forces. Magnetic force plays a key role in removing sub-micrometer-sized particles, composed of porous aluminum titanate enwrapping alumina nuclei. Consequently, sulfide precipitates with sizes less than 50 nan remain dispersed in the steel matrix. These findings open a path to the fabrication of clean steel or steel bearing only a nanosized strengthen- ing phase.展开更多
In order to understand the transport of fast electrons within solid density targets driven by an optical high power laser,we have numerically investigated the dynamics and structure of strong self-generated magnetic f...In order to understand the transport of fast electrons within solid density targets driven by an optical high power laser,we have numerically investigated the dynamics and structure of strong self-generated magnetic fields in such experiments.Here we present a systematic study of the bulk magnetic field generation due to the ponderomotive current,Weibel-like instability and resistivity gradient between two solid layers.Using particle-in-cell simulations,we observe the effect of varying the laser and target parameters,including laser intensity,focal size,incident angle,preplasma scale length,target thickness and material and experimental geometry.The simulation results suggest that the strongest magnetic field is generated with laser incident angles and preplasma scale lengths that maximize laser absorption efficiency.The recent commissioning of experimental platforms equipped with both optical high power laser and X-ray free electron laser(XFEL),such as European XFEL-HED,LCLS-MEC and SACLA beamlines,provides unprecedented opportunities to probe the self-generated bulk magnetic field by X-ray polarimetry via Faraday rotation with simultaneous high spatial and temporal resolution.We expect that this systematic numerical investigation will pave the way to design and optimize near future experimental setups to probe the magnetic fields in such experimental platforms.展开更多
The microsegregation behavior of the Al-4.5 wt%Cu alloy solidified at different cooling rates under the alternating magnetic field(AMF) was investigated.The experimental results showed that the amount of non-equilibri...The microsegregation behavior of the Al-4.5 wt%Cu alloy solidified at different cooling rates under the alternating magnetic field(AMF) was investigated.The experimental results showed that the amount of non-equilibrium eutectics in the interdendritic region decreased upon applying the AMF at the same cooling rate.The change in microsegregation could be explained quantificationally by the modifications of dendritic coarsening,solid-state back diffusion and convection in the AMF.The enhanced diffusivity in the solid owing to the AMF was beneficial for the improvement in microsegregation compared to the cases without an AMF.In contrast,the enhanced dendritic coarsening and forced convection in the AMF were found to aggravate the microsegregation level.Considering the contributions of the changes in above factors,an increase in solid diffusivity was found to be primarily responsible for the reduced microsegregation in the AMF.In addition,the microsegregation in the AMF was modeled using the analytical model developed by Voller.The calculated and experimental results were in reasonable agreement.展开更多
Aquaculture and mariculture are becoming an increasingly important source of food supply in many countries and regions.However,with the expansion of aquaculture and mariculture comes increasing emissions of greenhouse...Aquaculture and mariculture are becoming an increasingly important source of food supply in many countries and regions.However,with the expansion of aquaculture and mariculture comes increasing emissions of greenhouse gases(GHG)which contribute to global warming and climate change.China leads the world in aquaculture and mariculture production,but there are no studies that systematically assess China's overall carbon footprint from these industries.This study quantified GHG emissions from aquaculture and mariculture by four source phases(feed,energy use,nitrous oxide and fertilizers),and then analyzed the carbon footprint of each of these phases for GHG production of nine major species groups over the past ten years to show the spatial distribution of GHG emissions from aquaculture and mariculture in China.Our results showed that the production of feed materials contributed most to the GHG emissions and found that crop energy use,crop land use changes(LUC),fertilizer production,crop nitrous oxide production and rice methane production were the main sources of feed emissions.The total GHG emissions of the nine species groups were 112 Mt(10^(9) kg)CO_(2)e,the nine species accounting for approximately 86%of aquaculture and mariculture production.GHG emissions of cyprinids had the highest contribution at 47%.Spatial analysis based on our study showed Guangdong,Hubei,Jiangsu and Shandong had the highest GHG emissions of all the provinces in this study,and they accounted for approximately 46%of all emissions.The regional Gross Domestic Product(GDP)was significantly positively correlated with GHG emissions in every province,with a correlation coefficient higher than 0.6.Our results showed for the first time the relationship between the relative production by species composition and spatial distribution of GHG emissions from aquaculture and mariculture in China.Our findings provide the scientific basis for reduction of GHG emissions within a broader context of expanding aquaculture in the future.展开更多
Efficient extraction and recycling methods are an important issue for rare earth elements(REE). The significant differences in their magnetic moments make magnetic separation a promising step. Although the magnetic fi...Efficient extraction and recycling methods are an important issue for rare earth elements(REE). The significant differences in their magnetic moments make magnetic separation a promising step. Although the magnetic field gradient manipulation of ions seemed to be impossible, the robust enrichment of some paramagnetic RE ions was found in the vicinity of the magnet. The studies in recent years resolved the physical paradox of why, despite the Brownian motion of the ions, there is a reproducible enrichment of RE ions in magnetic field gradients. The existence of trigger process and energy barrier was proved.However, these studies usually used only high paramagnetic ions, e.g., Dy(Ⅲ) or Ho(Ⅲ). This work verifies the theory of the possible magnetic separation for 8 different rare earth ions, respectively. For this purpose, concentration distribution in rare earth chloride solutions were measured using a MachZehnder interferometer. The magnetic field was assured by a Halbach configuration to enhance the effect. The results show the classification of RE solutions into 2 classes: Class I contains the REs with low magnetic moment, whereas Class II includes the REs of high magnetic moment. Only the latter group shows the enrichment of ions in the vicinity of the magnet which encourages the implementation of magnetic separation into existing hydrometallurgical technology to enhance the selectivity of REE.展开更多
The current work combines numerical and experimental investigations based on a small-scale mockup using the eutectic alloy GaInSn.The jet flow discharging from the submerged entry nozzle was exposed perpendicularly to...The current work combines numerical and experimental investigations based on a small-scale mockup using the eutectic alloy GaInSn.The jet flow discharging from the submerged entry nozzle was exposed perpendicularly to a DC magnetic field across the entire wide face of the mold.Numerical calculations were performed by using the commercial package CFX with an implemented RANS-SST turbulence model.The anisotropic properties of the MHD turbulence were taken into account by specific modifications of the turbulence model.The comparison between our numerical calculations and the experimental results shows a very well agreement.In particular,the modified RANS-SST turbulence model is capable to reconstruct the peculiar phenomenon of the excitation of non-steady,non-isotropic large-scale flow perturbations caused by the application of the DC magnetic field.Another important finding of our study is the feature that the electrical boundary conditions,namely the wall conductivity ratio,have a great impact on the mold flow subjected to an external magnetic field.展开更多
Color centers in silicon carbide(SiC)are promising candidates for quantum technologies.However,the richness of the polytype and defect configuration of SiC makes the accurate control of the types and position of defec...Color centers in silicon carbide(SiC)are promising candidates for quantum technologies.However,the richness of the polytype and defect configuration of SiC makes the accurate control of the types and position of defects in SiC still challenging.In this study,helium ion-implanted 4H-SiC was characterized by atomic force microscopy(AFM),confocal photoluminescence(PL),and confocal Raman spectroscopy at room temperature.PL signals of silicon vacancy were found and analyzed using 638-nm and 785-nm laser excitation by means of depth profiling and SWIFT mapping.Lattice defects(C-C bond)were detected by continuous laser excitation at 532 nm and 638 nm,respectively.PL/Raman depth profiling was helpful in revealing the three-dimensional distribution of produced defects.Differences in the depth profiling results and SRIM simulation results were explained by considering the depth resolution of the confocal measurement setup,helium bubbles,as well as swelling.展开更多
基金supported by the Center for Advanced Systems Understanding(CASUS),financed by Germany’s Federal Ministry of Education and Research(BMBF)and the Saxon State Government out of the State Budget approved by the Saxon State Parliamentfunding from the European Research Council(ERC)under the European Union’s Horizon 2022 Research and Innovation Program(Grant Agreement No.101076233,“PREXTREME”).
文摘We present quasi-exact ab initio path integral Monte Carlo(PIMC)results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime,from solid density conditions to the strongly compressed case.The full dynamic treatment of electrons and protons on the same footing allows us to rigorously quantify both electronic and ionic exchange–correlation effects in the system,and to compare the results with those of earlier incomplete models such as the archetypal uniform electron gas or electrons in a fixed ion snapshot potential that do not take into account the interplay between the two constituents.The full electronic density response is highly sensitive to electronic localization around the ions,and our results constitute unambiguous predictions for upcoming X-ray Thomson scattering experiments with hydrogen jets and fusion plasmas.All PIMC results are made freely available and can be used directly for a gamut of applications,including inertial confinement fusion calculations and the modeling of dense astrophysical objects.Moreover,they constitute invaluable benchmark data for approximate but computationally less demanding approaches such as density functional theory or PIMC within the fixed-node approximation.
基金supported partially by the Center for Advanced Systems Understanding(CASUS),which is financed by Germany’s Federal Ministry of Education and Research(BMBF),and by the state government of Saxony from the State budget approved by the Saxon State Parliament.This work has received funding from the European Research Council(ERC)under the European Union’s Horizon 2022 research and innovation program(Grant No.101076233,“PREXTREME”)The PIMC calculations were carried out at the Norddeutscher Verbund für Hoch-und Höchstleistungsrechnen(HLRN)under Grant No.shp00026,and on a Bull Cluster at the Center for Information Services and High Performance Computing(ZIH)at Technische Universität Dresden.
文摘An accurate theoretical description of the dynamic properties of correlated quantum many-body systems,such as the dynamic structure factor S(q,ω),is important in many fields.Unfortunately,highly accurate quantum Monte Carlo methods are usually restricted to the imaginary time domain,and the analytic continuation of the imaginary-time density–density correlation function F(q,τ)to real frequencies is a notoriously hard problem.Here,it is argued that often no such analytic continuation is required because by definition,F(q,τ)contains the same physical information as does S(q,ω),only represented unfamiliarly.Specifically,it is shown how one can directly extract key information such as the temperature or quasi-particle excitation energies from theτdomain,which is highly relevant for equation-of-state measurements of matter under extreme conditions[T.Dornheim et al.,Nat.Commun.13,7911(2022)].As a practical example,ab initio path-integral Monte Carlo results for the uniform electron gas(UEG)are considered,and it is shown that even nontrivial processes such as the roton feature of the UEG at low density[T.Dornheim et al.,Commun.Phys.5,304(2022)]are manifested straightforwardly in F(q,τ).A comprehensive overview is given of various useful properties of F(q,τ)and how it relates to the usual dynamic structure factor.In fact,working directly in theτdomain is advantageous for many reasons and opens up multiple avenues for future applications.
基金supported partly by the National Natural Science Foundation of China (No. 51472170)the Major State Basic Research Development Program of China (No. 2011CB932700)
文摘An induction levitation melting (ILM) refining process is performed to remove most microsized inclusions in ultra-low carbon steel (UCS). Nanosized, spheroid shaped sulfide precipitates remain dispersed in the UCS. During the ILM process, the UCS is molten and is rotated under an upward magnetic field. With the addition of Ti additives, the spinning molten steel under the upward magnetic field ejects particles because of resultant centrifugal, floating, and magnetic forces. Magnetic force plays a key role in removing sub-micrometer-sized particles, composed of porous aluminum titanate enwrapping alumina nuclei. Consequently, sulfide precipitates with sizes less than 50 nan remain dispersed in the steel matrix. These findings open a path to the fabrication of clean steel or steel bearing only a nanosized strengthen- ing phase.
文摘In order to understand the transport of fast electrons within solid density targets driven by an optical high power laser,we have numerically investigated the dynamics and structure of strong self-generated magnetic fields in such experiments.Here we present a systematic study of the bulk magnetic field generation due to the ponderomotive current,Weibel-like instability and resistivity gradient between two solid layers.Using particle-in-cell simulations,we observe the effect of varying the laser and target parameters,including laser intensity,focal size,incident angle,preplasma scale length,target thickness and material and experimental geometry.The simulation results suggest that the strongest magnetic field is generated with laser incident angles and preplasma scale lengths that maximize laser absorption efficiency.The recent commissioning of experimental platforms equipped with both optical high power laser and X-ray free electron laser(XFEL),such as European XFEL-HED,LCLS-MEC and SACLA beamlines,provides unprecedented opportunities to probe the self-generated bulk magnetic field by X-ray polarimetry via Faraday rotation with simultaneous high spatial and temporal resolution.We expect that this systematic numerical investigation will pave the way to design and optimize near future experimental setups to probe the magnetic fields in such experimental platforms.
基金supported financially by the National Natural Science Foundation of China(Nos.U1560202,51690162 and 51604171)Shanghai Municipal Science and Technology Commission Grant(No.17JC1400602)+2 种基金Shanghai Pujiang Program(No.18PJ1403700)the program of China Scholarships Council(No.201806890052)the National Science and Technology Major Project“Aeroengine and Gas Turbine”(No.2017-VII-0008-0102).
文摘The microsegregation behavior of the Al-4.5 wt%Cu alloy solidified at different cooling rates under the alternating magnetic field(AMF) was investigated.The experimental results showed that the amount of non-equilibrium eutectics in the interdendritic region decreased upon applying the AMF at the same cooling rate.The change in microsegregation could be explained quantificationally by the modifications of dendritic coarsening,solid-state back diffusion and convection in the AMF.The enhanced diffusivity in the solid owing to the AMF was beneficial for the improvement in microsegregation compared to the cases without an AMF.In contrast,the enhanced dendritic coarsening and forced convection in the AMF were found to aggravate the microsegregation level.Considering the contributions of the changes in above factors,an increase in solid diffusivity was found to be primarily responsible for the reduced microsegregation in the AMF.In addition,the microsegregation in the AMF was modeled using the analytical model developed by Voller.The calculated and experimental results were in reasonable agreement.
基金supported by Basic and Applied Basic Research Foundation of Guangdong Province,China(No.2019B1515120065)the National Key R&D Program of China(Grant No.2018YFD0900904)+2 种基金INTERNATIONAL COOPERATION Project of the Chinese Academy of Sciences(Grant No.152342KYSB20190025)the National Natural Science Foundation of China of China(Grant No.31872687)This work was also partially funded by the Center of Advanced Systems Understanding(CASUS),which is financed by Germany's Federal Ministry of Education and Research(BMBF)and by the Saxon Ministry for Science,Culture and Tourism(SMWK)within the budget approved by the Saxon State Parliament.
文摘Aquaculture and mariculture are becoming an increasingly important source of food supply in many countries and regions.However,with the expansion of aquaculture and mariculture comes increasing emissions of greenhouse gases(GHG)which contribute to global warming and climate change.China leads the world in aquaculture and mariculture production,but there are no studies that systematically assess China's overall carbon footprint from these industries.This study quantified GHG emissions from aquaculture and mariculture by four source phases(feed,energy use,nitrous oxide and fertilizers),and then analyzed the carbon footprint of each of these phases for GHG production of nine major species groups over the past ten years to show the spatial distribution of GHG emissions from aquaculture and mariculture in China.Our results showed that the production of feed materials contributed most to the GHG emissions and found that crop energy use,crop land use changes(LUC),fertilizer production,crop nitrous oxide production and rice methane production were the main sources of feed emissions.The total GHG emissions of the nine species groups were 112 Mt(10^(9) kg)CO_(2)e,the nine species accounting for approximately 86%of aquaculture and mariculture production.GHG emissions of cyprinids had the highest contribution at 47%.Spatial analysis based on our study showed Guangdong,Hubei,Jiangsu and Shandong had the highest GHG emissions of all the provinces in this study,and they accounted for approximately 46%of all emissions.The regional Gross Domestic Product(GDP)was significantly positively correlated with GHG emissions in every province,with a correlation coefficient higher than 0.6.Our results showed for the first time the relationship between the relative production by species composition and spatial distribution of GHG emissions from aquaculture and mariculture in China.Our findings provide the scientific basis for reduction of GHG emissions within a broader context of expanding aquaculture in the future.
基金Project supported by the German Aerospace Center(DLR)with funds provided by The Federal Ministry for Economic Affairs and Climate Action(BMWi)due to an enactment of the German Bundestag under grant number 50WM1741(project SESIMAG II)。
文摘Efficient extraction and recycling methods are an important issue for rare earth elements(REE). The significant differences in their magnetic moments make magnetic separation a promising step. Although the magnetic field gradient manipulation of ions seemed to be impossible, the robust enrichment of some paramagnetic RE ions was found in the vicinity of the magnet. The studies in recent years resolved the physical paradox of why, despite the Brownian motion of the ions, there is a reproducible enrichment of RE ions in magnetic field gradients. The existence of trigger process and energy barrier was proved.However, these studies usually used only high paramagnetic ions, e.g., Dy(Ⅲ) or Ho(Ⅲ). This work verifies the theory of the possible magnetic separation for 8 different rare earth ions, respectively. For this purpose, concentration distribution in rare earth chloride solutions were measured using a MachZehnder interferometer. The magnetic field was assured by a Halbach configuration to enhance the effect. The results show the classification of RE solutions into 2 classes: Class I contains the REs with low magnetic moment, whereas Class II includes the REs of high magnetic moment. Only the latter group shows the enrichment of ions in the vicinity of the magnet which encourages the implementation of magnetic separation into existing hydrometallurgical technology to enhance the selectivity of REE.
基金Item Sponsored by Deutsche Forschungsgemeinschaft (DFG) in form of the SFB 609 "Electromagnetic Flow Control in Metallurgy,Crystal Growth and Electrochemistry"
文摘The current work combines numerical and experimental investigations based on a small-scale mockup using the eutectic alloy GaInSn.The jet flow discharging from the submerged entry nozzle was exposed perpendicularly to a DC magnetic field across the entire wide face of the mold.Numerical calculations were performed by using the commercial package CFX with an implemented RANS-SST turbulence model.The anisotropic properties of the MHD turbulence were taken into account by specific modifications of the turbulence model.The comparison between our numerical calculations and the experimental results shows a very well agreement.In particular,the modified RANS-SST turbulence model is capable to reconstruct the peculiar phenomenon of the excitation of non-steady,non-isotropic large-scale flow perturbations caused by the application of the DC magnetic field.Another important finding of our study is the feature that the electrical boundary conditions,namely the wall conductivity ratio,have a great impact on the mold flow subjected to an external magnetic field.
基金the National Natural Science Foundation of China(Nos.51575389,51761135106)National Key Research and Development Program of China(2016YFB1102203)+1 种基金State key laboratory of precision measuring technology and instruments(Piltl705)the‘111’Project by the State Administration of Foreign Experts Affairs and the Ministry of Education of China(Grant No.B07014)。
文摘Color centers in silicon carbide(SiC)are promising candidates for quantum technologies.However,the richness of the polytype and defect configuration of SiC makes the accurate control of the types and position of defects in SiC still challenging.In this study,helium ion-implanted 4H-SiC was characterized by atomic force microscopy(AFM),confocal photoluminescence(PL),and confocal Raman spectroscopy at room temperature.PL signals of silicon vacancy were found and analyzed using 638-nm and 785-nm laser excitation by means of depth profiling and SWIFT mapping.Lattice defects(C-C bond)were detected by continuous laser excitation at 532 nm and 638 nm,respectively.PL/Raman depth profiling was helpful in revealing the three-dimensional distribution of produced defects.Differences in the depth profiling results and SRIM simulation results were explained by considering the depth resolution of the confocal measurement setup,helium bubbles,as well as swelling.