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Nutrient uptake,maximum yield production,and economic return of maize under deficit irrigation with biochar and inorganic fertiliser amendments

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Biochar 2019年第4期1卷 375-388页

作者： Oluwaseun Temitope Faloye Ayodele Ebenezer Ajayi Michael Olarewaju Alatise Babatunde Sunday Ewulo Rainer Horn Department of Agricultural and Environmental Engineering Federal University of TechnologyAkureNigeria Department of Agricultural and Food Engineering Afe Babalola UniversityAdo EkitiNigeria Department of Crop Soil and Pest ManagementFederal University of TechnologyAkureNigeria Institute for Plant Nutrition and Soil Science CAU KielHermann Rodewaldstr.224118 KielGermany

The individual and combined effects of biochar(B)and inorganic fertiliser(F)have all been widely proofed to improve soil fertility and enhance crop growth and yield under irrigation(I)and rain fed ***,the strength of their individual and combined effects on crop productivity has been scarcely *** addition,few studies have assessed their individual and co-application effects on economic ***,a 2-year field experiment which consisted of factorial combination of irrigation(I)[100%full irrigation(FI),80%FI and 60%FI],biochar(0 and 20 t/ha)and fertiliser(0 and 300 kg/ha)was *** to the results,irrigation was the dominant factor that influences maize grain yield,followed by inorganic fertiliser and biochar,and they were all significant in their main *** strength of interaction effects among,I,F and B on maize grain yield follow the sequence F×I>B×F>B×*** economic analysis showed that the ternary combination of B,F and I was more economical than the binary combination of B plus I,and F plus I(in that order),when compared with the standalone application of I at maximum production in the field *** addition,combined applications of biochar and fertiliser improved soil nutrients,nutrient uptake in all irrigation treatments,compared to the standalone applications of biochar or *** research is,therefore,recommended for long-term evaluation of the economic viability of integrating biochar with fertiliser under irrigation.

关键词： Biochar amendment Drip irrigation Maize grain yield Economic evaluation Optimum irrigation

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Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling

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npj Computational Materials 2021年第1期7卷 1661-1669页

作者： Pedram Tavadze Reese Boucher Guillermo Avendaño-Franco Keenan X.Kocan Sobhit Singh Viviana Dovale-Farelo Wilfredo Ibarra-Hernández Matthew B.Johnson David S.Mebane Aldo H.Romero Department of Physics and Astronomy West Virginia UniversityMorgantownWVUSA Department of Mechanical and Aerospace Engineering West Virginia UniversityMorgantownWVUSA Department of Physics and Astronomy Rutgers UniversityPiscatawayNJUSA Facultad de Ingeniería Benemérita Universidad Autónoma de PueblaApdo.Postal J-39PueblaPue.72570México

The density-functional theory is widely used to predict the physical properties of ***,it usually fails for strongly correlated materials.A popular solution is to use the Hubbard correction to treat strongly correlated electronic ***,the values of the Hubbard U and J parameters are initially unknown,and they can vary from one material to *** this semi-empirical study,we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties(volume,magnetic moment,and bandgap).We used a Bayesian calibration assisted by Markov chain Monte Carlo sampling for three different exchange-correlation functionals(LDA,PBE,and PBEsol).We found that LDA requires the largest U *** has the smallest standard deviation and its U and J parameters are the most transferable to other iron-based ***,PBE predicts lattice parameters reasonably well without the Hubbard correction.

关键词： materials Hubbard parameter

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Electronic structure of LaIrIn5and f-electron character in its related Ce-115 compounds

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Science China(Physics,Mechanics & Astronomy) 2020年第11期63卷 90-97页

作者： Rui Zhou XueBing Luo ZhaoFeng Ding Lei Shu XingYu Ji ZiHao Zhu YaoBo Huang DaWei Shen ZhengTai Liu ZhongHao Liu Yun Zhang QiuYun Chen Science and Technology on Surface Physics and Chemistry Laboratory Mianyang 621908China Department of Engineering Physics Tsinghua UniversityBeijing 100084China State Key Laboratory of Surface Physics and Department of Physics Fudan UniversityShanghai 200433China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201204China Center of Excellence in Superconducting Electronics State Key Laboratory of Functional Materials for InformaticsShanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China

LaIrIn5 is a reference compound of the heavy-fermion superconductor *** lack of f electrons in LaIrIn5 indicates that there should not be any f electron participating in the construction of its Fermi *** the electronic structure comparison between LaIrIn5 and LaIrIn5 provides a good platform to study the properties of f *** angle-resolved photoemission spectroscopy(ARPES)measurements and density functional theory(DFT)calculations are performed to study the electronic structures of LaIrIn5 and *** find the valence band structures of the two materials are similar to each other,except for the absence of f bands in *** analyzing the Fermi crossings of the three conduction bands of the two materials quantitatively,we find the volumes of the electron pocketsαandβaround the M′point become larger from LaIrIn5 to LaIrIn5,while the hole pocketγaround theΓ′point becomes *** with the calculation results,we confirm that this is mainly originated from the f-electron contribution,while the lattice-constant difference between LaIrIn5 and LaIrIn5 only has a finite *** also give a summary of the f-electron character in its related Ce-115 heavy fermion *** results may be essential for the complete microscopic understanding of the 115 compounds and the related heavy-fermion systems.

关键词： ARPES DFT heavy fermion LaIrIn5

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Characterization of coal using electron spin resonance： implications for the formation of inertinite macerals in the Witbank Coalfield, South Africa

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International Journal of Coal Science & Technology 2018年第3期5卷 385-398页

作者： Ofentse M. Moroeng Jonathan M. Keartland R. James Roberts Nicola J. Wagner Department of Geology University of JohannesburgP.O. Box 524 Auckland Park 2006 South Africa Department of Geology University of Pretoria Mineral Sciences Building Pretoria 0002 South Africa School of Physics and Materials Physics Institute University of the Witwatersrand Johannesburg 2050 South Africa

Coal contains a significant concentration of free radicals as a result of the coalification process. One of the experimental methods sensitive to the presence of radicals is electron spin resonance （ESR）, and differences in ESR spectra for different macerals may provide insight into coal-forming processes. In this study, ESR data along with the H/C atomic ratio （to infer the aromatic fraction） are used to characterize coal samples with the aim of assessing a fire-origin for dominant inertinite macerals. A medium rank C bituminous Witbank No. 4 Seam Upper coal （the parent） was density- fractionated to create vitrinite-rich and inertinite-rich samples. The parent sample consists of 42 vol% vitrinite and 49 vol% inertinite. The density-fractionated samples comprise of 81 vol% total vitrinite （dominated by collotelinite and collodetrinite）, and 63 vol% total inertinite （dominated by fusinite, semifusinite, and inertodetrinite）. The H/C ratio is 0.74 for the inertinite-rich sample, and 0.85 for the vitrinite-rich counterpart, suggesting the former sample is more aromatic. The ESR spectra obtained for the three samples were found to fit best using a Lorentzian distribution. The fit is noticeably better for the aromatic inertinite-rich sample, for which the spectrum is symmetric. This is attributed to pronounced electron mobility and exchange interactions. The higher radical content of the inertinite-rich and parent samples is attributed to the presence of specific inertinite macerals, namely： fusinite, semifusinite, and inertodetrinite. And, owing to the greater radical content of the inertinite-rich sample, the dominant inertinite macerals are interpreted to have formed through charring of plant matter.

关键词： Main Karoo Basin Radical contents Origin pathways Charring Fusinite Semifusinite

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