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Probabilistic Analysis and Design of HCP Nanowires:An Efficient surrogate Based Molecular Dynamics simulation Approach

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Journal of Materials science & Technology 2016年第12期32卷 1345-1351页

作者： T.Mukhopadhyay A.Mahata s.dey s.Adhikari College of Engineering Swansea UniversitySwanseaUnited Kingdom Department of Materials science and Engineering Missouri University of Science and TechnologyRollaMOUSA Indian Institute of science BangaloreIndia Leibniz-Institut fur Polymerforschung Dresden e.V. DresdenGermany

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 *** of the major drawbacks of conventional MD simulation based studies is that the simulations are computationally very intensive and economically *** scale molecular dynamics simulation needs supercomputing access and the larger the number of atoms,the longer it takes time and computational *** this reason it becomes practically impossible to perform a robust and comprehensive analysis that requires multiple simulations such as sensitivity analysis,uncertainty quantification and *** 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 *** the sBMD simulation approach an efficient optimum design scheme has been developed to predict optimized size of the nanowire to maximize the yield *** the effect of inevitable uncertainty associated with the controlling factors has been quantified using Monte Carlo *** 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.

关键词： hcp-nanowire Yield strength surrogate Monte Carlo simulation Uncertainty in nanoscale sensitivity

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Development and validation of a stability-indicating RP–HPLC method for estimation of atazanavir sulfate in bulk

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Journal of Pharmaceutical Analysis 2017年第2期7卷 134-140页

作者： s.dey s.subhasis Patro N.suresh Babu P.N.Murthy s.K.Panda Dr.B.C.Roy College of Pharmacy&Allied Health sciences Meghnad Saha SaraniBidhannagarDurgapur713206West BengalIndia Royal College of Pharmacy and Health sciences Dist.-GanjamBerhampur 760002OrissaIndia

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＋*** 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.

关键词： Atazanavir sulfate RP–HPLC Isocratic elution Validation stability indicating

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Effects of concurrent grain boundary and surface segregation on the final stage of sintering: the case of Lanthanum doped yttriastabilized zirconia

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Journal of Materials science & Technology 2017年第3期33卷 251-260页

作者： M.M.Gong s.dey L.J.Wu C.H.Chang H.Li R.H.R.Castro F.Liu state Key Laboratory of solidification Processing Northwestern Polytechnical University Xi＇an 710072 China Department of Materials science ＆ Engineering University of California Davis CA 95616 USA

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.

关键词： Grain boundary(GB) segregation surface segregation Enthalpy of segregation GB energy surface energy

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Effect of a less permeable stronger soil layer on the stability of non-homogeneous unsaturated slopes

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Frontiers of structural and Civil Engineering 2020年第6期14卷 1462-1475页

作者： Nabarun dey Aniruddha sENGUPTA Department of Civil Engineering Indian Institute of Technology KharagpurKharagpur 721302India

slope failure occurs due to an increase in the saturation level and a subsequent decrease in matric suction in unsaturated *** paper presents the results of a series of centrifuge experiments and numerical analyses on a 55°inclined unsaturated sandy slope with less permeable,stronger silty sand layer inclusion within *** is observed that a less permeable,stronger silty sand layer in an otherwise homogeneous sandy soil slope hinders the infiltration of *** water content of the slope just above the stronger layer increases significantly,compared to *** shear band is found to initiate in a homogeneous sandy soil slope,whereas for a non-homogeneous slope,they initiate just above the less pervious,stronger layer.A discontinuity of the shear zone is also observed for the case of a non-homogeneous soil *** factor of safety of a non-homogeneous,unsaturated soil slope decreases because of the less permeable,stronger *** decreases significantly if this less permeable,stronger soil layer is located near the toe of the slope.

关键词： non-homogeneous slope stronger soil layer factor of safety centrifuge model test unsaturated soils

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Amenability to dry processing of high ash thermal coal using a pneumatic table

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International Journal of Mining science and Technology 2015年第6期25卷 955-961页

作者： dey shobhana Gangadhar B. Gopalkrishna s.J. Mineral Processing Division CSIR-National Metallurgical Laboratory Jamshedpur 831007 India Departrnent of Mineral Processing Vsku Pg Centre gellary 5831 lg India

High ash thermal coal from India was used to conduct the dry processing of fine coal using a pneumatic table to evolve a techno-economically novel technique. The fine as-received sample having 55.2g ash was subjected to washability studies at variant densities from 1.4 to 2.2 to assess the amenability to separa- tion. The experiments were conducted using a central composite design for assessing the interactive effects of the variable parameters of a pneumatic table on the product yield and ash content. The performance of the pneumatic table was analyzed in terms of clean coal yield, recovery of combustibles, separation efficiency （Esp） and useful heat value of clean coal. The combustibles of clean coal obtained through a single stage operation at 35% and 38.7% ash were 40% and 63% respectively. However, the two stage processing was more effective in reducing the ash content in the clean coal. The rougher concentrate generated at higher ash level was subsequently processed in different conditions at 35% ash level, and 58g combustibles could be recovered. Hence, two stage processing increases the combustibles by 18 units and the useful heat value of clean coal increases from 1190 kcal/kg to 3750 kcal/kg.

关键词： Dry processingAir flow rateMinimum fluidizing velocityOrganic efficiency

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Chemical Reduction of CO_2 to Different Products during Photo Catalytic Reaction on TiO_2 under Diverse Conditions:an Overview

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Journal of Natural Gas Chemistry 2007年第3期16卷 217-226页

作者： G.R.dey Radiation and Photochemistry Division Bhabha Atomic Research CentreTrombayMumbai 400085India

The chemical reduction of CO2 remains a challenge with respect to the reversal of the oxidative degradation of any organic materials. The conversion of CO2 into useful substances is essential in developing alternative fuels and various raw materials for different industries. This also aids in preventing the continuous rise in tropospheric temperature due to the green house effect of CO2. In this article an overview of the growth taken place so far in the field of CO2 chemical reduction is pre- sented. The discussion comprises of photochemical methods for the development of different products, viz. CO, CH3OH and CH4, through chemical reduction of CO2. This includes the use of photo catalysts, mainly TiO2, and the role of a hole scavenger （such as 2-propanol） for this purpose.

关键词： CO2 chemical reduction H2 CH4 CO TiO2 hole scavenger photolysis

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Performance study and kinetic modeling of hybrid bioreactor for treatment of bi-substrate mixture of phenol-m-cresol in wastewater:Process optimization with response surface methodology

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Journal of Environmental sciences 2013年第4期25卷 698-709页

作者： sudipta dey somnath Mukherjee Department of Biotechnology Heritage Institute of TechnologyAnandapurChowbaga RoadKolkata-700107West BengalIndia Environmental Engineering Division Civil Engineering DepartmentJadavpur UniversityRaja S.C.Mallic RoadKolkata-700032West BengalIndia

Performance of a hybrid reactor comprising of trickling filter （TF） and aeration tank （AT） unit was studied for biological treatment of wastewater containing mixture of phenol and m-cresol, using mixed microbial culture. The reactor was operated with hydraulic loading rates （HLR） and phenolics loading rates （PLR） between 0.222-1.078 m3/（m2-day） and 0.900-3.456 kg/（***）, respectively. The efficiency of substrate removal varied between 71%-100% for the range of HLR and PLR studied. The fixed film unit showed better substrate removal efficiency than the aeration tank and was more resistant to substrate inhibition. The kinetic parameters related to both units of the reactor were evaluated and their variation with HLR and PLR were monitored. It revealed the presence of substrate inhibition at high PLR both in TF and AT unit. The biofilm model established the substrate concentration profile within the film by solving differential equation of substrate mass transfer using boundary problem solver tool ＇bvp4c＇ of MATLAB 7. 1 software. Response surface methodology was used to design and optimize the biodegradation process using Design Expert 8 software, where phenol and m-cresol concentrations, residence time were chosen as input variables and percentage of removal was the response. The design of experiment showed that a quadratic model could be fitted best for the present experimental study. significant interaction of the residence time with the substrate concentrations was observed. The optimized condition for operating the reactor as predicted by the model was 230 mg/L of phenol, 190 mg/L of m-cresol with residence time of 24.82 hr to achieve 99.92% substrate removal.

关键词： hybrid bioreactor bi-substrate phenol m-cresol response surface methodology biofilm model

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Measurement of the integrated luminosity of the Phase 2 data of the Belle Ⅱ experiment

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Chinese Physics C 2020年第2期44卷 1-12页

作者： F.Abudinén I.Adachi P.Ahlburg H.Aihara N.Akopov A.Aloisio F.Ameli L.Andricek N.Anh Ky D.M.Asner H.Atmacan T.Aushev V.Aushev T.Aziz K.Azmi V.Babu s.Baehr s.Bahinipati A.M.Bakich P.Bambade sw.Banerjee s.Bansal V.Bansal M.Barrett J.Baudot A.Beaulieu J.Becker P.K.Behera J.V.Bennett E.Bernieri F.U.Bernlochner M.Bertemes M.Bessner s.Bettarini V.Bhardwaj F.Bianchi T.Bilka s.Bilokin D.Biswas G.Bonvicini A.Bozek M.Bračko P.Branchini N.Braun T.E.Browder A.Budano s.Bussino M.Campajola L.Cao G.Casarosa C.Cecchi D.Červenkov M.-C.Chang P.Chang R.Cheaib V.Chekelian Y.Q.Chen Y.-T.Chen B.G.Cheon K.Chilikin H.-E.Cho K.Cho s.Cho s.-K.Choi s.Choudhury D.Cinabro L.Corona L.M.Cremaldi s.Cunliffe T.Czank F.Dattola E.De La Cruz-Burelo G.De Nardo M.De Nuccio G.De Pietro R.de sangro M.Destefanis s.dey A.De Yta-Hernandez F.Di Capua s.Di Carlo J.Dingfelder Z.Doležal I.Domínguez Jiménez T.V.Dong K.Dort s.Dubey s.Duell s.Eidelman M.Eliachevitch T.Ferber D.Ferlewicz G.Finocchiaro s.Fiore A.Fodor F.Forti A.Frey B.G.Fulsom M.Gabriel E.Ganiev M.Garcia-Hernandez R.Garg A.Garmash V.Gaur A.Gaz U.Gebauer A.Gellrich J.Gemmler T.Geßler R.Giordano A.Giri B.Gobbo R.Godang P.Goldenzweig B.Golob P.Gomis P.Grace W.Gradl E.Graziani D.Greenwald C.Hadjivasiliou s.Halder K.Hara T.Hara O.Hartbrich K.Hayasaka H.Hayashii C.Hearty M.T.Hedges I.Heredia de la Cruz M.Hernández Villanueva A.Hershenhorn T.Higuchi E.C.Hill H.Hirata M.Hoek s.Hollitt T.Hotta C.-L.Hsu Y.Hu K.Huang T.Iijima K.Inami G.Inguglia J.Irakkathil Jabbar A.Ishikawa R.Itoh M.Iwasaki Y.Iwasaki s.Iwata P.Jackson W.W.Jacobs D.E.Jaffe E.-J.Jang H.B.Jeon s.Jia Y.Jin C.Joo J.Kahn H.Kakuno A.B.Kaliyar G.Karyan Y.Kato T.Kawasaki H.Kichimi C.Kiesling B.H.Kim C.-H.Kim D.Y.Kim s.-H.Kim Y.K.Kim Y.Kim T.D.Kimmel K.Kinoshita C.Kleinwort B.Knysh P.Kodyš T.Koga I.Komarov T.Konno s.Korpar D.Kotchetkov N.Kovalchuk T.M.G.Kraetzschmar P.Križan R.Kroeger J.F.Krohn P.Krokovny W.Kuehn T.Kuhr M.Kumar R.Kumar K.Kumara s.Kurz A.Kuzmin Y.-J.Kwon s.Lacaprara Y.-T.Lai C.La Licata K.Lalwani L.Lanceri J.s.Lange K.Lautenbach I.-s.Le Beihang University Beijing 100191 Brookhaven National Laboratory UptonNew York 11973 Budker Institute of Nuclear Physics sB RAs Novosibirsk 630090 Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional Mexico City 07360 Faculty of Mathematics and Physics Charles University12116 Prague Chiba University Chiba 263-8522 Consejo Nacional de Ciencia y Tecnología Mexico City 03940 Deutsches Elektronen–synchrotron 22607 Hamburg Duke University DurhamNorth Carolina 27708 Earthquake Research Institute University of TokyoTokyo 113-0032 Forschungszentrum Jülich 52425 Jülich Department of Physics Fu Jen Catholic UniversityTaipei 24205 Key Laboratory of Nuclear Physics and Ion-beam Application(MOE)and Institute of Modern Physics Fudan UniversityShanghai 200443 II.Physikalisches Institut Georg-August-Universität Göttingen37073 Göttingen Gifu University Gifu 501-1193 The Graduate University for Advanced studies(sOKENDAI) Hayama 240-0193 Gyeongsang National University Jinju 52828 Department of Physics and Institute of Natural sciences Hanyang UniversitySeoul 04763 High Energy Accelerator Research Organization(KEK) Tsukuba 305-0801 J-PARC Branch KEK Theory CenterHigh Energy Accelerator Research Organization(KEK)Tsukuba 305-0801 Indian Institute of science Education and Research Mohali SAS Nagar140306 Indian Institute of Technology Bhubaneswar Satya Nagar 751007 Indian Institute of Technology Hyderabad Telangana 502285 Indian Institute of Technology Madras Chennai 600036 Indiana University BloomingtonIndiana 47408 Institute for High Energy Physics Protvino 142281 Institute of High Energy Physics Vienna 1050 Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049 Institute of Particle Physics(Canada) VictoriaBritish Columbia V8W 2Y2 Institute of Physics Hanoi Instituto de Fisica Corpuscular Paterna 46980 INFN Laboratori Nazionali di Frascati I-00044 Frascati INFN sezione di Napoli I-80126 Napoli INFN sezione di Padova I-35131 Padova INFN sezione di Perugia I-06123 Perugia

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 *** is the first data sample of the Belle Ⅱ *** 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 *** work provides a basis for future luminosity measurements at Belle Ⅱ.

关键词： luminosity Bhabha digamma Belle II

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statistical Inference of Exponentiated Moment Exponential Distribution Based on Lower Record Values

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Communications in Mathematics and statistics 2017年第3期5卷 231-260页

作者： Devendra Kumar Tanujit dey sanku dey Department of statistics Central University of HaryanaJant-PaliMahendergarh 123031HaryanaIndia Department of Quantitative Health sciences Cleveland ClinicClevelandOH 44121USA Department of statistics St.Anthony’s CollegeShillongMeghalayaIndia

Based on lower record values,we first derive the exact explicit expressions as well as recurrence relations for the single and product moments of record values and then use these results to compute the means,variances and coefficient of skewness and kurtosis of exponentiated moment exponential distribution(EMED),a new extension of moment exponential distribution,recently introduced by Hasnain(Exponentiated moment exponential ***,2013).Next we obtain the maximum likelihood estimators of the unknown parameters and the approximate confidence intervals of the ***,we consider Bayes estimation under the symmetric and asymmetric loss functions using gamma priors for both shape and scale *** have also derived the Bayes interval of this distribution and discussed both frequentist and the Bayesian prediction intervals of the future record values based on the observed record *** Carlo simulations are performed to compare the performances of the proposed methods,and a data set has been analyzed for illustrative purposes.

关键词： Lower record values single and product moments Recurrence relations Bayes estimator General entropy loss function Maximum likelihood estimator

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Optimum lateral extent of soil domain for dynamic ssI analysis of RC framed buildings on pile foundations

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Frontiers of structural and Civil Engineering 2020年第1期14卷 62-81页

作者： Nishant sHARMA Kaustubh DAsGUPTA Arindam dey Department of Civil Engineering Indian Institute of Technology GuwahatiGuwahati 781039India

This article describes a novel approach for deciding optimal horizontal extent of soil domain to be used for finite element based numerical dynamic soil structure interaction(ssI)*** model for a 12 storied building frame,supported on pile foundation-soil system,is developed in the finite element based software framework,*** different structure-foundation configurations are analyzed under different ground motion *** extent of soil domain,along with the soil properties,were varied exhaustively for a particular structural *** on the reduction in the variation of acceleration response at different locations in the ssI system(quantified by normalized root mean square error,NRMsE),the optimum lateral extent of the soil domain is prescribed for various structural widths,soil types and peak ground acceleration levels of ground *** to the past studies,error estimation analysis shows that the relationships prescribed in the present study are credible and more inclusive of the various factors that influence *** relationships can be readily applied for deciding upon the lateral extent of the soil domain for conducting precise ssI analysis with reduced computational time.

关键词： soil structure interaction optimum lateral extent of soil domain length multi-storyed framed building pile foundation OpensEEs L-K boundaries dynamic analysis

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