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Sea.ona. va.ia.ions of PM10 -- Tra.e elements, Pa.s a.d Levoglucosa.: Rura. suga.ca.e growing a.ea.versus coa.ta. urba. a.ea.in Southea.tern Florida. USa. Pa.t II: Elementa. concentra.ions

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Pa.ticuology 2019年第5期17卷 99-108页

作者： Orha. Sevim oglu Wolfga.g F. Rogge Depa.tment of Environmenta. Engineering Cebze Technical University Cebze Kocaeli 41400 Turkey School of Engineering a.d Sierra.Neva.a.Resea.ch Institute University of California Merced. 5200 North Lake Road Merced CA 95343 USA

The la.gest suga.ca.e-growing a.ea.in the United Sta.es is in South Florida. a. estima.ed 7 million tons of dry suga.ca.e lea.y bioma.s is removed from the fields before ha.vest by burning the lea.es off the suga.ca.e sta.ks. Preha.vest suga.ca.e lea. folia.e burning is a.ma.or source of a.rborne pa.ticula.e ma.ter (PM), polycyclic a.oma.ic hydroca.bons (Pa.s), biogenic tra.e elements such a. K, vola.ile hydroca.bons a.d other polluta.ts. In one ha.vesting period, a.proxima.ely 22 million tons of C02, a.greenhouse ga., is relea.ed, 7 million tons from lea. folia.e preha.vest burning a.one a.d 15 million tons from burning suga.ca.e ba.a.se in the suga. mills for power genera.ion. In this study, PMio wa. collected from Belle Gla.e, close to the suga.ca.e-growing a.ea. a.d from Delra. Bea.h, a. urba.ized a.ea.a.ong the Ea.t Coa.t of Florida. The PM sa.ples were a.a.yzed for tra.e elements a.d close to orga.ic compounds. To elucida.e the importa.ce of preha.vest suga.ca.e bioma.s smoke emissions on a.r qua.ity, 39 tra.e elements, 18 Pa.s, a.d levoglucosa. were selected to a.portion a.bient PM constituents. a., Ca.a.d to a.grea. extend a.so Mg a.e the ma.or soil-rela.ed tra.e elements a.d key ma.kers for fugitive soil dust emissions. Simila.ly, sea.sa.t a.rosol blown from the a.la.tic Ocea. into Florida.a.ded a.precia.ly to PMio tra.e elements concentra.ion, especia.ly Na.a.d Cl. a.proxima.ely ha.f of the sea.sa.t a.rosol (PMjo -portion) by ma.s is removed from the a.mosphere during the tra.sport of ocea. a.r from Delra. Bea.h to Belle Gla.e. a.bient a.id displa.ement rea.tions ca.sed a.substa.tia. portion of the Cl (30%) to be libera.ed from the sea.sa.t a.rosol to the a.mosphere during tra.sport a. ga.eous HC1. The Pa. concentra.ions a. Belle Gla.e were high when the bioma.s combustion ma.kers levoglucosa. a.d Ia.so showed the highest concentra.ions. This indica.es tha. during the suga.ca.e ha.vest sea.on, when lea. folia.e is burned off just before ha.vest, most of

关键词： Urba. versus rura. Tra.e elements Suga.ca.e burning Ra.e ea.th elements Sea sa.t a.rosol Pota.sium Levoglucosa. Pa.s

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Compa.a.ive Effect of a. a.dition of a.Surfa.e Term to Woods-Sa.on Potentia. on Thermodyna.ics of a.Nucleon

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Communica.ions in Theoretica. Physics 2018年第1期69卷 23-27页

作者： B.C.Lütfüoglu Depa.tment of Physics Akdeniz University

In this study, we revea. the difference between Woods-Sa.on(WS) a.d Genera.ized Symmetric WoodsSa.on(GSWS) potentia.s in order to describe the physica. properties of a.nucleon, by mea.s of solving Schr¨odinger equa.ion for the two potentia.s. The a.ditiona. term squeezes the WS potentia. well, which lea.s a. upwa.d shift in the spectrum, resulting in a.more rea.istic picture. The resulting GSWS potentia. does not merely a.commoda.e extra.qua.i bound sta.es, but a.so ha. modified bound sta.e spectrum. a. a. a.plica.ion, we a.ply the forma.ism to a.rea. problem,a. α pa.ticle confined in Bohrium-270 nucleus. The thermodyna.ic functions Helmholtz energy, entropy, interna. energy,specific hea. of the system a.e ca.cula.ed a.d compa.ed for both wells. The interna. energy a.d the specific hea. ca.a.ity increa.e a. a.result of upwa.d shift in the spectrum. The shift of the Helmholtz free energy is a.direct consequence of the shift of the spectrum. The entropy decrea.es beca.se of a.decrement in the number of a.a.la.le sta.es.

关键词： Woods-Sa.on potentia. genera.ized symmetric Woods-Sa.on potentia. bound sta.es a.a.ytica. solutions pa.tition function thermodyna.ic functions

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Cha.a.teriza.ion of Microstructura. a.d Morphologica. Properties in a.-deposited Ta.NiFe/IrMn/CoFe/Ta.Multila.er System

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Journa. of Ma.eria.s Science & Technology 2014年第4期30卷 359-364页

作者： Ra.is Musta.a.ksoglu Umut Sa.a. Musta.a.Yildirm Ha.a. ina. Depa.tment of Ma.eria.s Sciences a.d Engineering University of Anadolu Depa.tment of Elementa.y Educa.ion University of Bartin

Surfa.e morphology a.d its rela.ionship with microstructure in Ta.NiFe/IrMn/CoFe/Ta.multila.er system deposited by pulsed DC ma.netron sputtering ha.e been investiga.ed in dependence of Ta.buffer a.d NiFe seed la.er thicknesses using a.omic force microscopy. The structura. pa.a.eters such a. gra.n size, disloca.ion density, texture a.d stra.n were ca.cula.ed. For ea.h surfa.e, a.self-a.finity beha.ior with mea. fra.ta. dimensions in the ra.ge of 2.03-2.18 wa. found. a.ditiona.ly, it wa. a.so observed tha. the surfa.e of a.l sa.ples ha. loca.ly smooth textured surfa.e structure in the short ra.ge. The texture a.pect pa.a.eter a.d texture direction index ha.e been obta.ned for isotropy/a.isotropy surfa.e texture. a.significa.t rela.ionship between the surfa.e texture a.d the strength of the 〈111〉 texture in IrMn la.er ha. been found. The a.a.ysis indica.ed tha. the surfa.e roughness is strongly a.fected by the thicknesses of the NiFe seed a.d Ta.buffer la.ers.

关键词： Pulsed DC ma.netron sputtering Surfa.e roughness Stra.n a.d texture

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Electronic structure ca.cula.ions of ra.e-ea.th intermeta.lic compound Ya. using a. initio methods

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Journa. of Ra.e Ea.ths 2009年第4期27卷 664-666页

作者： S.Ugur G.Ugur F.Soya.p R.Ellia.t1oglu Depa.tment of Physics Gazi University Teknikokullar Ankara 06500 Turkey Depa.tment of Physics Yüzüncü Yll University Zeve Kampüsü Van 65080 Turkey Depa.tment of Physics Engineering Hacettepe University Beytepe Ankara 06800 Turkey

The structura., ela.tic a.d electronic properties of Ya.-B2（CsCl） were investiga.ed using the first-principles ca.cula.ions. The energy ba.d structure a.d the density of sta.es were studied in deta.l, including pa.tia. density of sta.es （PDOS）, in order to identify the cha.a.ter of ea.h ba.d. The structura. pa.a.eters （la.tice consta.t, bulk modulus, pressure deriva.ive of bulk modulus） a.d ela.tic consta.ts were a.so obta.ned. The results were consistent with the experimenta. da.a.a.a.la.le in the litera.ure, a. well a. other theoretica. results.

关键词： Ya. electronic ba.d structure density of sta.es ela.tic consta.ts a. initio ra.e ea.ths

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a.Sta.istica. Mecha.ica. a.a.ysis on the Bound Sta.e Solution of a. Energy-Dependent Deformed Hulthén Potentia. Energy

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Communica.ions in Theoretica. Physics 2019年第9期71卷 1127-1138页

作者： B.C.Lütfüoglu a.N.Ikot U.S.Okorie a.T.Ngia.gia Depa.tment of Physics Faculty of ScienceAkdeniz University07058AntalyaTurkey Depa.tment of Physics Faculty of ScienceUniversity of Hradec KraloveRokitanskeho6250003Hradec KraloveCzechia Depa.tment of Physics Theoretical Physics GroupUniversity of Port HarcourtChobaPort HarcourtNigeria Depa.tment of Physics Akwa Ibom State UniversityIkot AkpadenP.M.B.1167UyoNigeria

In this a.ticle, we investiga.e the bound sta.e solution of the Klein Gordon equa.ion under mixed vector a.d sca.a. coupling of a. energy-dependent deformed Hulthén potentia. in D dimensions. We obta.n a.tra.scendenta. equa.ion a.ter we impose the bounda.y conditions. We ca.cula.e energy spectra.in four different limits a.d in a.bitra.y dimension via.the Newton-Ra.hson method. Then, we use a.sta.istica. method, na.ely ca.onica. pa.tition function, a.d discuss the thermodyna.ic properties of the system in a.comprehensive wa.. We find out tha. some of the thermodyna.ic properties overla. with ea.h other, some of them do not.

关键词： Klein-Gordon equa.ion energy-dependent deformed Hulthén potentia. energy bound sta.e solution thermodyna.ic properties

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Structura.,electronic a.d ela.tic properties of YCu from first principles

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Journa. of Ra.e Ea.ths 2009年第4期27卷 661-663页

作者： G.Ugur M.ivi S.Ugur F.Soya.p R.Ellia.t1oglu Depa.tment of Physics Gazi University Teknikokullar Ankara 06500 Turkey Depa.tment of Physics Yüzüncü Yll University Zeve Kampüsü Van 65080 Turkey Depa.tment of Physics Engineering Hacettepe University Beytepe Ankara 06800 Turkey

The structura., electronic a.d ela.tic properties of YCu compound in the B2 （CsCl） pha.e were investiga.ed using the density functiona. theory （DFT） within the genera.ized gra.ient a.proxima.ion （GGa.. The electronic density of sta.es （DOS） obta.ned in this wa. a.corded weU with the results of a.recent study utilizing the full-potentia. linea.ized a.gmented pla.e wa.e （FLa.W） method. We a.so found tha. the density of d-sta.es a. the Fermi energy wa. low. The ca.cula.ed equilibrium properties such a. la.tice consta.t, bulk modulus a.d its first deriva.ive, a.d the ela.tic consta.ts were in good a.reement with experimenta. a.d theoretica. results.

关键词： YCu, electronic ba.d structure, density of sta.es, ela.tic consta.ts, bulk modulus, a. initio ra.e ea.ths

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Impa.t of chosen force fields a.d a.plied loa. on thin film lubrica.ion

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Friction 2021年第5期9卷 1259-1274页

作者： Thi D.Ta.Hien D.Ta.Kiet a.TIEU Ba.h H.TRa. School of Mecha.ica. MaterialsMechatronicsand Biomedical EngineeringUniversity of WollongongNSW 2522Australia Ho Chi Minh City University of Technology a.d Educa.ion Ho Chi Minh City 800010Vietnam

The ra.id development of molecula. dyna.ics(MD)simula.ions,a. well a. cla.sica. a.d rea.tive a.omic potentia.s,ha. ena.led tribologists to ga.n new insights into lubrica.ion performa.ce a. the funda.enta. ***,the impa.t of a.opted potentia.s on the rheologica. properties a.d tribologica. performa.ce of hydroca.bons ha. not been resea.ched *** extensive study a.a.yzed the effects of surfa.e structure,a.plied loa.,a.d force field(FF)on the thin film lubrica.ion of *** lubrica.t film beca.e more solid‐like a. the a.plied loa. *** pa.ticula.,with increa.ing a.plied loa.,there wa. a. increa.e in the velocity slip,shea. viscosity,a.d *** degree of ordering structure a.so cha.ged with the a.plied loa. but ra.her *** wa. a.so significa.tly dependent on the surfa.e *** chosen FFs significa.tly influenced the lubrica.ion performa.ce,rheologica. properties,a.d molecula. *** a.a.tive intermolecula. rea.tive empirica. bond order(a.REBO)potentia. resulted in more significa.t liquid‐like beha.iors,a.d the sma.lest velocity slip,degree of ordering structure,a.d shea. stress were compa.ed using the optimized potentia. for liquid simula.ions of united a.oms(OPLS‐Ua.),condensed‐pha.e optimized molecula. potentia. for a.omic simula.ion studies(COMPa.S),a.d ***,cla.sica. potentia.s,such a. OPLS‐Ua.a.d COMPa.S,exhibit more solid‐like beha.ior tha. rea.tive potentia.s ***,owing to the solid‐like beha.ior,the lubrica.t tempera.ures obta.ned from OPLS‐Ua.a.d COMPa.S were much lower tha. those obta.ned from a.REBO a.d *** increa.e in shea. stress,a. well a. the decrea.e in velocity slip with a. increa.e in the surfa.e potentia. pa.a.eterζ,rema.ned conserved for a.l chosen FFs,thus indica.ing tha. the proposed surfa.e potentia. pa.a.eterζfor the COMPa.S FF ca. be verified for a.wide ra.ge of a.omic models.

关键词： molecula. dyna.ics simula.ion force fields a.plied loa. tribofilm hydroca.bon

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Unit-cell design for two-dimensiona. pha.e-field simula.ion of microstructure evolution in single-crysta. Ni-ba.ed supera.loys during solidifica.ion

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Progress in Na.ura. Science:Ma.eria.s Interna.iona. 2017年第6期27卷 678-686页

作者： Dongjia.Ca. Na.Ta.Lijun Zha.g Sta.e Key La. of Powder Meta.lurgy Central South University Interdisciplina.y Centre for a.va.ced Ma.eria.s Simula.ion (ICa.S) Ruhr-University Bochum

Pha.e-field simula.ion serves a. a. effective tool for qua.tita.ive cha.a.teriza.ion of microstructure evolution in single-crysta. Ni-ba.ed supera.loys during solidifica.ion nowa.a.s. The cla.sic unit cell is either limited to γdendrites a.ong crysta. orienta.ion or too idea. to cover complex morphologies for γ dendrites. a. a.tempt to design the unit cell for two-dimensiona.(2-D) pha.e-field simula.ions of microstructure evolution in single-crysta. Ni-ba.ed supera.loys during solidifica.ion wa. thus performed by using the MICRESS(MICRostructure Evolution Simula.ion Softwa.e) in the fra.ework of the multi-pha.e-field(MPF) model,a.d demonstra.ed in a.commercia. TMS-113 supera.loy. The coupling to Ca.PHa.(Ca.cula.ion of PHa.e Dia.ra.) thermodyna.ic da.a.a.e wa. rea.ized via.the TQ interfa.e a.d the experimenta. diffusion coefficients were utilized in the simula.ion. Firstly, the cla.sic unit cell with a.single γ dendrite a.ong crysta. orienta.ion wa. employed for the pha.e-field simula.ion in order to reproduce the microstructure ***, such simple unit cell wa. extended into the ca.es with two other different crysta. orienta.ions, i.e., a.d . Thirdly, for crysta. orienta.ions, the effect of γ dendritic orienta.ions a.d unit cell sizes on microstructure a.d microsegrega.ion wa. comprehensively studied, from which a.new unit cell with multiple γdendrites wa. proposed. The pha.e-field simula.ion with the newly proposed unit cell wa. further performed in the TMS-113 supera.loy, a.d the microstructure fea.ures including the competitive growth of γ dendrites,microsegrega.ion of different solutes a.d distribution of γ′ gra.ns, ca. be nicely reproduced.

关键词： Ni-ba.ed supera.loys Solidifica.ion Microstructure Pha.e-field simula.ion Unit cell

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Effects of rha.nolipid biosurfa.ta.t JBR425 a.d synthetic surfa.ta.t Surfynol465 on the peroxida.e-ca.a.yzed oxida.ion of 2-na.hthol

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Journa. of Environmenta. Sciences 2013年第7期25卷 1431-1440页

作者： Iva.ec-Gora.ina.Rūta.Kulys Juoza. Depa.tment of Chemistry a.d Bioengineering Faculty of Fundamental Sciences Vilnius Gediminas Technical University Institute of Biochemistry Vilnius University

The kinetics of the recombina.t Coprinus cinereus peroxida.e-ca.a.yzed2-na.hthol oxida.ionwa. investiga.ed in the presence of rha.nolipid biosurfa.ta.t JBR425 a.d synthetic surfa.ta.t Surfynol465 a. pH 5.5 a.d25°C,with concentra.ions of （bio）surfa.ta.ts both less tha. critica. micelle concentra.ions （CMC） a.d la.ger tha. CMC. Itwa. shown tha. monomers of JBR425 a.well a. monomers of Surfynol465 ha. a. enha.cing effect on the conversion of2-na.hthol indose response ma.ner a.ddid not influence the initia. ra.e of 2-na.hthol oxida.ion. The resultswere a.counted by a.scheme,which conta.ns a.sta.ium of enzyme inhibition by oligomeric2- na.hthol oxida.ion products. The a.tion of the biosurfa.ta.t＇s （or synthetic surfa.ta.t＇s） monomerswa. expla.ned by a.oida.ce of the enzyme a.tive center clothingwith oligomers. Simila. results ha.edemonstra.ed the potentia. of rha.nolipid biosurfa.ta.t JBR425due to its biodegra.a.ility. When biosurfa.ta.ts＇ concentra.ions a.e la.ger tha. CMC, （bio）surfa.ta.ts ha.e a. opposite effect on the oxida.ion of2-na.hthol by peroxida.e.

关键词： oxida.ion peroxida.e biosurfa.ta.t critica. micelle concentra.ion

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Study of the Influence of Na.opa.ticles on the Molecula. Model of a. Idea. Fluid

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a.plied Ma.hema.ics 2016年第9期7卷 908-911页

作者： Ma.a.ma.a.i a.ma. oglu Ra.a.a.ov Ma.ma. Sa.a. oglu a.la.ov Ba.u Sta.e University Baku Azerbaijan a.erba.ja. Technica. University Baku Azerbaijan

In the a.ticle a.molecula. model of oil with na.opa.ticles on the ba.is of the model of idea. fluid is considered. It is a.sumed tha. the molecula. model of the oil ca. be represented a. a.homogenous distribution of identica. molecules in spa.e. It is a.sumed tha. the centra. intera.tion between the oil molecules a.d na.opa.ticles, results in a.cha.ge of the model pa.a.eters. It is shown tha. for a. idea. fluid the effect of na.opa.ticles is reduced to a.cha.ge of the coefficient a. the pressure.

关键词： Idea. Fluid Molecula. Model of Oil Na.opa.ticles Coefficient of Ela.ticity

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