Dopants play a critical role in tailoring the microstructure during sintering of compacts. These dopants may form solid solution within the bulk, and/or segregate to the grain boundaries（GBs） and the solidvapor inte...Dopants play a critical role in tailoring the microstructure during sintering of compacts. These dopants may form solid solution within the bulk, and/or segregate to the grain boundaries（GBs） and the solidvapor interfaces（free surfaces）, each causing a distinct energetic scenario governing mass transports during densification and grain growth. In this work, the forces controlling the dopant distribution, in particular the possibility of concurrent segregation at both surfaces and GBs, are discussed based on the respective enthalpy of segregation. An equation is derived based on the minimum Gibbs energy of the system to determine enthalpy of segregation from experimental interface energy data, and the results applied to depict the role of La as a dopant on the interface energetics of yttria stabilized zirconia during its final stage of sintering. It is shown that La substantially decreases both GB and surface energies（differently）as sintering progresses, dynamically affecting its driving forces, and consequent grain growth and densification in this stage.展开更多
We investigate the dependency of strain rate,temperature and size on yield strength of hexagonal close packed（HCP） nanowires based on large-scale molecular dynamics（MD） simulation.A variance-based analysis has bee...We investigate the dependency of strain rate,temperature and size on yield strength of hexagonal close packed（HCP） nanowires based on large-scale molecular dynamics（MD） simulation.A variance-based analysis has been proposed to quantify relative sensitivity of the three controlling factors on the yield strength of the material.One of the major drawbacks of conventional MD simulation based studies is that the simulations are computationally very intensive and economically expensive.Large scale molecular dynamics simulation needs supercomputing access and the larger the number of atoms,the longer it takes time and computational resources.For this reason it becomes practically impossible to perform a robust and comprehensive analysis that requires multiple simulations such as sensitivity analysis,uncertainty quantification and optimization.We propose a novel surrogate based molecular dynamics（SBMD）simulation approach that enables us to carry out thousands of virtual simulations for different combinations of the controlling factors in a computationally efficient way by performing only few MD simulations.Following the SBMD simulation approach an efficient optimum design scheme has been developed to predict optimized size of the nanowire to maximize the yield strength.Subsequently the effect of inevitable uncertainty associated with the controlling factors has been quantified using Monte Carlo simulation.Though we have confined our analyses in this article for Magnesium nanowires only,the proposed approach can be extended to other materials for computationally intensive nano-scale investigation involving multiple factors of influence.展开更多
A stability-indicating reverse phase–high performance liquid chromatography（RP–HPLC） method was developed and validated for the determination of atazanavir sulfate in tablet dosage forms using C_（18） column Phen...A stability-indicating reverse phase–high performance liquid chromatography（RP–HPLC） method was developed and validated for the determination of atazanavir sulfate in tablet dosage forms using C_（18） column Phenomenix（250 mm×4.6 mm, 5 μm） with a mobile phase consisting of 900 mL of HPLC grade methanol and100 mL of water of HPLC grade. The pH was adjusted to 3.55 with acetic acid. The mobile phase was sonicated for 10 min and filtered through a 0.45 μm membrane filter at a flow rate of 0.5 mL/min. The detection was carried out at 249 nm and retention time of atazanavir sulfate was found to be 8.323 min. Linearity was observed from 10 to 90 μg/mL（coefficient of determination R^2 was 0.999） with equation, y=23.427x＋37.732.Atazanavir sulfate was subjected to stress conditions including acidic, alkaline, oxidation, photolysis and thermal degradation, and the results showed that it was more sensitive towards acidic degradation. The method was validated as per ICH guidelines.展开更多
series of data samples was collected with the Belle Ⅱ detector at the SuperKEKB collider from March 2019 to June 2022.We determine the integrated luminosities of these data samples using three distinct methodologies ...series of data samples was collected with the Belle Ⅱ detector at the SuperKEKB collider from March 2019 to June 2022.We determine the integrated luminosities of these data samples using three distinct methodologies involving Bhabha(e^(+)e^(-)→e^(+)e^(-)(ny),digamma(e^(+)e^(-)→γγ(nγ),and dimuon(e^(+)e^(-)→μ^(+)μ^(-)(nγ)events.The total integrated luminosity obtained with Bhabha,digamma,and dimuon events is(426.88±0.03±2.61)fb^(-1),(429.28±0.03±2.62)fb^(-1),and(423.99±0.04±3.83)fb^(-1),where the first uncertainties are statistical and the second are systematic.The resulting total integrated luminosity obtained from the combination of the three methods is(427.87±2.01)fb^(-1).展开更多
From April to July 2018,a data sample at the peak energy of the T(4 S) resonance was collected with the Belle Ⅱ detector at the SuperKEKB electron-positron collider.This is the first data sample of the Belle Ⅱ exper...From April to July 2018,a data sample at the peak energy of the T(4 S) resonance was collected with the Belle Ⅱ detector at the SuperKEKB electron-positron collider.This is the first data sample of the Belle Ⅱ experiment.Using Bhabha and digamma events,we measure the integrated luminosity of the data sample to be(496.3±0.3±3.0) pb-1,where the first uncertainty is statistical and the second is systematic.This work provides a basis for future luminosity measurements at Belle Ⅱ.展开更多
基金support of the National Basic Research Program of China (No. 2011CB610403)the National Natural Science Foundation of China (Nos. 51134011 and 51431008)+3 种基金Research Fund of the State Key Laboratory of Solidification Processing (117-TZ-2015)the China National Funds for Distinguished Young Scientists (No. 51125002)supports of the Doctorate Foundation of Northwestern Polytechnical University (No. CX201204)support of the National Science Foundation (No. DMR 1055504)
文摘Dopants play a critical role in tailoring the microstructure during sintering of compacts. These dopants may form solid solution within the bulk, and/or segregate to the grain boundaries（GBs） and the solidvapor interfaces（free surfaces）, each causing a distinct energetic scenario governing mass transports during densification and grain growth. In this work, the forces controlling the dopant distribution, in particular the possibility of concurrent segregation at both surfaces and GBs, are discussed based on the respective enthalpy of segregation. An equation is derived based on the minimum Gibbs energy of the system to determine enthalpy of segregation from experimental interface energy data, and the results applied to depict the role of La as a dopant on the interface energetics of yttria stabilized zirconia during its final stage of sintering. It is shown that La substantially decreases both GB and surface energies（differently）as sintering progresses, dynamically affecting its driving forces, and consequent grain growth and densification in this stage.
基金the financial support from Swansea University through the award of Zienkiewicz Scholarshipthe financial support from The Royal Society of London through the Wolfson Research Merit award
文摘We investigate the dependency of strain rate,temperature and size on yield strength of hexagonal close packed（HCP） nanowires based on large-scale molecular dynamics（MD） simulation.A variance-based analysis has been proposed to quantify relative sensitivity of the three controlling factors on the yield strength of the material.One of the major drawbacks of conventional MD simulation based studies is that the simulations are computationally very intensive and economically expensive.Large scale molecular dynamics simulation needs supercomputing access and the larger the number of atoms,the longer it takes time and computational resources.For this reason it becomes practically impossible to perform a robust and comprehensive analysis that requires multiple simulations such as sensitivity analysis,uncertainty quantification and optimization.We propose a novel surrogate based molecular dynamics（SBMD）simulation approach that enables us to carry out thousands of virtual simulations for different combinations of the controlling factors in a computationally efficient way by performing only few MD simulations.Following the SBMD simulation approach an efficient optimum design scheme has been developed to predict optimized size of the nanowire to maximize the yield strength.Subsequently the effect of inevitable uncertainty associated with the controlling factors has been quantified using Monte Carlo simulation.Though we have confined our analyses in this article for Magnesium nanowires only,the proposed approach can be extended to other materials for computationally intensive nano-scale investigation involving multiple factors of influence.
文摘A stability-indicating reverse phase–high performance liquid chromatography（RP–HPLC） method was developed and validated for the determination of atazanavir sulfate in tablet dosage forms using C_（18） column Phenomenix（250 mm×4.6 mm, 5 μm） with a mobile phase consisting of 900 mL of HPLC grade methanol and100 mL of water of HPLC grade. The pH was adjusted to 3.55 with acetic acid. The mobile phase was sonicated for 10 min and filtered through a 0.45 μm membrane filter at a flow rate of 0.5 mL/min. The detection was carried out at 249 nm and retention time of atazanavir sulfate was found to be 8.323 min. Linearity was observed from 10 to 90 μg/mL（coefficient of determination R^2 was 0.999） with equation, y=23.427x＋37.732.Atazanavir sulfate was subjected to stress conditions including acidic, alkaline, oxidation, photolysis and thermal degradation, and the results showed that it was more sensitive towards acidic degradation. The method was validated as per ICH guidelines.
基金supported by Higher Education and Science Committee of the Republic of Armenia(23LCG-1C011)Australian Research Council and Research(DP200101792,DP210101900,DP210102831,DE220100462,LE210100098,LE230100085)+41 种基金Austrian Federal Ministry of Education,Science and Research,Austrian Science Fund(P 34529,J 4731,J 4625,M 3153)Horizon 2020 ERC Starting(947006)“InterLeptons”Natural Sciences and Engineering Research Council of Canada,Compute Canada and CANARIENational Key R&D Program of China(2022YFA1601903)National Natural Science Foundation of China(11575017,11761141009,11705209,11975076,12135005,12150004,12161141008,12175041)Natural Science Foundation Project of Shandong Province,China(ZR2022JQ02)the Czech Science Foundation(22-18469S)and Charles University Grant Agency(246122)European Research Council,Seventh Framework(PIEF-GA-2013-622527)Horizon 2020 ERC-Advanced(Grant Nos.267104 and 884719)Horizon 2020 ERC-Consolidator(819127)Horizon 2020 Marie Sklodowska-Curie Grant Agreement(700525)“NIOBE”and(101026516)Horizon 2020 Marie Sklodowska-Curie RISE project JENNIFER2 Grant Agreement(822070)(European grants)L'Institut National de Physique Nucléaire et de Physique des Particules(IN2P3)du CNRS and L'Agence Nationale de la Recherche(ANR)(ANR-21-CE31-0009)(France)BMBF,DFG,HGF,MPG,and AvH Foundation(Germany)Department of Atomic Energy under Project Identification(RTI 4002)Department of Science and Technology,and UPES SEED funding programs(UPES/R&D-SEED-INFRA/17052023/01,UPES/R&D-SOE/20062022/06)(India)Israel Science Foundation(2476/17)U.S.-Israel Binational Science Foundation(2016113)Israel Ministry of Science(3-16543)Istituto Nazionale di Fisica Nucleare and the Research Grants BELLE2Japan Society for the Promotion of Science,Grant-in-Aid for Scientific Research(16H03968,16H03993,16H06492,16K05323,17H01133,17H05405,18K03621,18H03710,18H05226,19H00682,20H05850,20H05858,22H00144,22K14056,22K21347,23H05433,26220706,26400255)the Ministry of Education,Culture,Sports,Science,and Technology(MEXT)of JapanNational Research Foundation(NRF)of Korea(2016R1D1A1B02012900,2018R1A2B3003643,2018R1A6A1A06024970,2019R1I1A3A01058933,2021R1A6A1A03043957,2021R1F1A1060423,2021R1F1A1064008,2022R1A2C1003993,RS-2022-00197659)Radiation Science Research Institute,Foreign Large-Size Research Facility Application Supporting project,the Global Science Experimental Data Hub Center of the Korea Institute of Science and Technology Information and KREONET/GLORIADUniversiti Malaya RU grant,Akademi Sains Malaysia,and Ministry of Education MalaysiaFrontiers of Science Program(FOINS-296,CB-221329,CB-236394,CB-254409,CB-180023)SEP-CINVESTAV Research(237)(Mexico)the Polish Ministry of Science and Higher Education and the National Science Centerthe Ministry of Science and Higher Education of the Russian Federation and the HSE University Basic Research Program,MoscowUniversity of Tabuk Research(S-0256-1438,S-0280-1439)(Saudi Arabia)Slovenian Research Agency and Research(J1-9124,P1-0135)Agencia Estatal de Investigacion,Spain(RYC2020-029875-I)Generalitat Valenciana,Spain(CIDEGENT/2018/020)The Knut and Alice Wallenberg Foundation(Sweden),(2021.0174,2021.0299)National Science and Technology Council,and Ministry of EducationThailand Center of Excellence in PhysicsTUBITAK ULAKBIM(Turkey)National Research Foundation of Ukraine,(2020.02/0257)Ministry of Education and Science of Ukrainethe U.S.National Science Foundation and Research(PHY-1913789,PHY-2111604)the U.S.Department of Energy and Research Awards(DE-AC06-76RLO1830,DE-SC0007983,DESC0009824,DE-SC0009973,DE-SC0010007,DE-SC0010073,DE-SC0010118,DE-SC0010504,DE-SC0011784,DE-SC0012704,DE-SC0019230,DESC0021274,DE-SC0021616,DE-SC0022350,DE-SC0023470)the Vietnam Academy of Science and Technology(VAST)(NVCC.05.12/22-23,DL0000.02/24-25)。
文摘series of data samples was collected with the Belle Ⅱ detector at the SuperKEKB collider from March 2019 to June 2022.We determine the integrated luminosities of these data samples using three distinct methodologies involving Bhabha(e^(+)e^(-)→e^(+)e^(-)(ny),digamma(e^(+)e^(-)→γγ(nγ),and dimuon(e^(+)e^(-)→μ^(+)μ^(-)(nγ)events.The total integrated luminosity obtained with Bhabha,digamma,and dimuon events is(426.88±0.03±2.61)fb^(-1),(429.28±0.03±2.62)fb^(-1),and(423.99±0.04±3.83)fb^(-1),where the first uncertainties are statistical and the second are systematic.The resulting total integrated luminosity obtained from the combination of the three methods is(427.87±2.01)fb^(-1).
基金supported by the following funding sources:Science Committee of the Republic of Armenia Grant No.18T-1C180Australian Research Council and research grant Nos.DP180102629,DP170102389,DP170102204,DP150103061,FT130100303,and FT130100018+37 种基金Austrian Federal Ministry of Education,Science and Research,and Austrian Science Fund No.P 31361-N36Natural Sciences and Engineering Research Council of Canada,Compute Canada and CANARIEChinese Academy of Sciences and research grant No.QYZDJ-SSW-SLH011National Natural Science Foundation of China and research grant Nos.11521505,11575017,11675166,11761141009,11705209,and 11975076LiaoNing Revitalization Talents Program under contract No.XLYC1807135Shanghai Municipal Science and Technology Committee under contract No.19ZR1403000Shanghai Pujiang Program under Grant No.18PJ1401000the CAS Center for Excellence in Particle Physics(CCEPP)the Ministry of Education,Youth and Sports of the Czech Republic under Contract No.LTT17020Charles University grants SVV260448 and GAUK 404316European Research Council,7th Framework PIEF-GA-2013-622527Horizon 2020 Marie Sklodowska-Curie grant agreement No.700525’NIOBE,’Horizon 2020 Marie Sklodowska-Curie RISE project JENNIFER grant agreement No.644294Horizon 2020 ERC-Advanced Grant No.267104NewAve No.638528(European grants)L’Institut National de Physique Nucléaire et de Physique des Particules(IN2P3)du CNRS(France),BMBF,DFG,HGF,MPG and AvH Foundation(Germany)Department of Atomic Energy and Department of Science and Technology(India)Israel Science Foundation grant No.2476/17United States-Israel Binational Science Foundation grant No.2016113Istituto Nazionale di Fisica Nucleare and the research grants BELLE2Japan Society for the Promotion of Science,Grant-in-Aid for Scientific Research grant Nos.16H03968,16H03993,16H06492,16K05323,17H01133,17H05405,18K03621,18H03710,18H05226,19H00682,26220706,and 26400255the National Institute of Informatics,and Science Information NETwork 5(SINET5)the Ministry of Education,Culture,Sports,Science,and Technology(MEXT)of JapanNational Research Foundation(NRF)of Korea Grant Nos.2016R1D1A1B01010135,2016R1D1A1B02012900,2018R1A2B3003643,2018R1A6A1A06024970,2018R1D1A1B07047294,2019K1A3A7A09033840,and 2019R1I1A3A01058933Radiation Science Research Institute,Foreign Large-size Research Facility Application Supporting project,the Global Science Experimental Data Hub Center of the Korea Institute of Science and Technology Information and KREONET/GLORIADUniversiti Malaya RU grant,Akademi Sains Malaysia and Ministry of Education MalaysiaFrontiers of Science Program contracts FOINS-296,CB-221329,CB-236394,CB-254409,and CB-180023,and the Thematic Networks program(Mexico)the Polish Ministry of Science and Higher Education and the National Science Centerthe Ministry of Science and Higher Education of the Russian Federation,Agreement14.W03.31.0026Slovenian Research Agency and research grant Nos.J1-9124 and P1-0135Agencia Estatal de Investigacion,Spain grant Nos.FPA2014-55613-P and FPA2017-84445-P,and CIDEGENT/2018/020 of Generalitat ValencianaMinistry of Science and Technology and research grant Nos.MOST106-2112-M-002-005-MY3 and MOST107-2119-M-002-035-MY3,and the Ministry of Education(Taiwan)Thailand Center of Excellence in PhysicsTUBITAK ULAKBIM(Turkey)Ministry of Education and Science of Ukrainethe US National Science Foundation and research grant Nos.PHY-1807007 and PHY-1913789the US Department of Energy and research grant Nos.DE-AC06-76RLO1830,DE-SC0007983,DE-SC0009824,DE-SC0009973,DE-SC0010073,DE-SC0010118,DE-SC0010504,DESC0011784,DE-SC0012704the National Foundation for Science and Technology Development(NAFOSTED)of Vietnam under grant No 103.99-2018.45
文摘From April to July 2018,a data sample at the peak energy of the T(4 S) resonance was collected with the Belle Ⅱ detector at the SuperKEKB electron-positron collider.This is the first data sample of the Belle Ⅱ experiment.Using Bhabha and digamma events,we measure the integrated luminosity of the data sample to be(496.3±0.3±3.0) pb-1,where the first uncertainty is statistical and the second is systematic.This work provides a basis for future luminosity measurements at Belle Ⅱ.
