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Compar.son of Functionals for.Metal Hexabor.d. Band.Str.ctur. Calculations

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Mod.ling and.Numer.cal Simulation of Mater.al Science 2014年第2期4卷 53-69页

作者： Jose A. Alar.o Peter.C. Talbot ian d. r. mackinnon Institute for.Futur. Envir.nments Queensland University of Technology Gardens Point Campus BrisbaneAustralia Institute for.Futur. Envir.nments Queensland University of Technology Gardens Point Campus BrisbaneAustralia Science and.Engineer.ng Faculty Queensland University of Technology Gardens Point Campus BrisbaneAustralia

d.nsity functional calculations of the electr.nic band.str.ctur. for.super.ond.cting and.semicond.cting metal hexabor.d.s ar. compar.d.using a consistent suite of assumptions and.with emphasis on the physical implications of computed.mod.ls. Spin polar.zation enhances mathematical accur.cy of the functional appr.ximations and.ad.s significant physical meaning to mod.l inter.r.tation. For.YB6 and.LaB6, d.ffer.nces in alpha and.beta pr.jections occur.near.the Fer.i ener.y. These d.ffer.nces ar. pr.nounced.for.super.ond.cting hexabor.d.s but d. not occur.for.other.metal hexabor.d.s.

关键词： Hexabor.d.s d.nsity Functional Theor. Band Str.ctur. Spin Polar.zation Super.ond.ctivity

Metal Hexabor.d.s with Sc, Ti or.Mn

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Mod.ling and.Numer.cal Simulation of Mater.al Science 2013年第4期3卷 158-169页

作者： ian d. r. mackinnon Jose A. Alar.o Peter.C. Talbot Institute for.Futur. Envir.nments Brisbane Australia Science and.Engineer.ng Faculty School of Chemistry Physics and Mechanical Engineering Queensland University of Technology Brisbane Australia

Compar.son of well-d.ter.ined.single cr.stal d.ta for.stoichiometr.c, or.near.stoichiometr.c, metal hexabor.d.s confir.s pr.viously id.ntified.lattice par.meter.tr.nd. using powd.r.d.ffr.ction. Tr.nd. for.both d.valent and.tr.valent for.s suggest that potential new for.s for.synthesis includ. Sc and.Mn hexabor.d.s. d.nsity Functional Theor. (d.T) calculations for.KB6, CaB6, YB6, LaB6, bor.n octahed.al cluster. and.Sc and.Mn for.s show that the shapes of bond.ng or.itals ar. d.fined.by the bor.n fr.mewor.. Inclusion of metal into the bor.n fr.mewor. ind.ces a r.d.ction in ener.y r.nging fr.m 1 eV to 6 eV incr.asing with ionic char.e. For.metals with d. char.cter. such a shift in ener.y br.ngs a d.ubly d.gener.te band.section along with the G-M r.cipr.cal space d.r.ction within the cond.ction band. tangential to the Fer.i sur.ace. ScB6 band.str.ctur. and.d.nsity of states calculations show d.r.ctions and.gap char.cter.stics similar.to those of YB6 and.LaB6. These calculations for.ScB6 suggest that it may be possible to r.alize super.ond.ctivity in this compound.if synthesized.

关键词： Metal Hexabor.d.s Electr.nic Str.ctur. Super.ond.ctivity Bor.n Fr.mewor.

In-Situ Car.on Contr.l in the Pr.par.tion of Pr.cur.or. to Bor.n Car.id. by a Non-Aqueous Solution Technique

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材料科学与工程（中英文A版） 2015年第1期5卷 8-20页

作者： Joshua L. Watts Peter.C.Talbot Jose A. Alar.o ian d. r. mackinnon Institute for.Futur. Envir.nments Queensland University of Technology Brisbane 4001 Australia Science and.Engineer.ng Faculty School of Chemistry Queensland University of Technology Brisbane 4001 Australia

Neur.cir.uit r.gener.tion by extr.cellular.matr.x r.pr.gr.mming

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Neur.l r.gener.tion r.sear.h 2025年第8期20卷 2300-2301页

作者： Shengzhang Su ian N.Levasseur.Kimber.y M.Alonge d.par.ment of Med.cinal Chemistr. University of WashingtonSeattleWAUSA d.par.ment of Chemistr. University of WashingtonSeattleWAUSA d.par.ment of Med.cine University of Washington Medicine Diabetes InstituteSeattleWAUSA

The br.in's extr.cellular.matr.x(ECM),which is compr.sed.of pr.tein and.glycosaminoglycan(GAG)scaffold.,constitutes 20%-40% of the human br.in and.is consid.r.d.one of the lar.est influencer. on br.in cell functioning(Soles et al.,2023).Synthesized.by neur.l and.glial cells,the br.in's ECM r.gulates a myr.ad.of homeostatic cellular.pr.cesses,includ.ng neur.nal plasticity and.fir.ng(Miyata et al.,2012),cation buffer.ng(Mor.ws ki et al.,2015),and.glia-neur.n inter.ctions(And.r.on et al.,2016).Consid.r.ng the d.ver.ity of functions,d.namic r.mod.ling of the br.in's ECM ind.cates that this und.r.tud.ed.med.um is an active par.icipant in both nor.al physiology and.neur.logical d.seases.

关键词： matr.x pr.gr.mming

A compr.hensive investigation on nonlinear.vibr.tion and.bend.ng char.cter.stics of bio-inspir.d.helicoid.l laminated.composite str.ctur.s

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Applied.Mathematics and.Mechanics(English Ed.tion) 2025年第1期46卷 81-100页

作者： S.SAUr.BH r.KIr.N d.SINGH r.VAISH V.S.CHAUHAN School of Mechanical and.Mater.als Engineer.ng Indian Institute of Technology Mandi

Bio-inspir.d.helicoid.l composite laminates, inspir.d.by the intr.cate helical str.ctur.s found.in natur., pr.sent a pr.mising fr.ntier.for.enhancing the mechanical pr.per.ies of str.ctur.l d.signs. Hence, this stud. pr.vid.s a compr.hensive investigation into the nonlinear.fr.e vibr.tion and.nonlinear.bend.ng behavior.of bio-inspir.d.composite plates. The inver.e hyper.olic shear.d.for.ation theor.(IHSd.) of plates is employed.to char.cter.ze the d.splacement field. with the incor.or.tion of Gr.en-Lagr.nge nonlinear.ty. The pr.blem is mod.led.using the C0finite element method.FEM), and.an in-house cod. is d.veloped.in the MATLAB envir.nment to solve it numer.cally. Var.ous helicoid.l layup configur.tions includ.ng helicoid.l r.cur.ive(Hr., helicoid.l exponential(HE), helicoid.l semi-cir.ular.HS), linear.helicoid.l(LH), and.Fibonacci helicoid.l(FH)with d.ffer.nt layup sequences and.quasi-isotr.pic configur.tions ar. stud.ed. The mod.l is valid.ted. and.par.metr.c stud.es ar. cond.cted. These stud.es investigate the effects of layup configur.tions, sid.-to-thickness r.tio, mod.lus r.tios, bound.r. cond.tions, and.load.ng cond.tions at d.ffer.nt load.amplitud.s on the nonlinear.vibr.tion and.nonlinear.bend.ng behavior. of bio-inspir.d.composite plates. The r.sults show that the laminate sequence exer.s a substantial impact on both nonlinear.natur.l fr.quencies and.nonlinear.bend.ng behavior.. Mor.over. this influence var.es acr.ss d.ffer.nt sid.-to-thickness r.tios and.bound.r. cond.tions of the bio-inspir.d.composite plate.

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Magnetic susceptibility measur.ments on metakaolin ad.ixtur.d.cement hyd.ated.with gr.und.water.and.sea water

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Inter.ational Jour.al of Miner.ls,Metallur.y and.Mater.als 2009年第3期16卷 349-354页

作者： d. Govind.r.jan r. Gopalakr.shnan d.par.ment of Physics Annamalai University Annamalai Nagar608002 Tamilnadu India

The r.le of metakaolin in the pr.per.ies of Por.land.cement hyd.ated.with gr.und.water.and.sea water.was d.scr.bed.by magnetic susceptibility stud.. Cement pastes containing 0wt%, 10wt%, 20wt% and.30wt% r.placement of metakaolin and.in a water.cement （W/C） r.tio of 0.4 wer. pr.par.d. The susceptibility at d.ffer.nt hyd.ation per.od. was d.ter.ined.by Far.d.y Cur.e balance and.it was r.lated.to the changes in setting time and.compr.ssive str.ngth of ad.ixtur.d.cement. Compar.d.with sea water.tr.ated.cement paste, the magnetic susceptibility of gr.und.water.tr.ated.cement paste is higher.in value. The obser.ed.r.sult shows that, ir.espective of water. the magnetic susceptibility incr.ases with incr.asing metakaolin per.entage r.placement level in cement.

关键词： magnetic susceptibility ad.ixtur.d.cement hyd.ation pozzolanic activity sea water

Ener.y Gap and.Electr.n Effective Mass in Chlor.ne Halid. Super.ond.ctor.at High Pr.ssur.

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Chinese Physics Letter. 2014年第11期31卷 140-143页

作者： r. Szczesiak d. Szczesiak Institute of Physics Czestochowa University of Technology A1. Armii Krajowej 19 Czestochowa 42-200 Poland Institute of Physics Jan Dtugosz University in Czestochowa AI. Armii Krajowej 13/15 Czestochowa 42-200 Poland

d.pend.nces of the or.0}r.par.meter.（ A ） and.the electr.n effective mass （me^＊） on the temper.tur. for.the chlor.ne halid. super.ond.ctor.ar. d.ter.ined.in the pr.sent wor.. The high values of the pr.ssur. （p1 = 320 GPa and.2 = 360 GPa）, for.which the cr.tical temper.tur. is equal to [Tc]m = 30.6 K and.[Tc]p2 = 41.5 K, ar. taken into consid.r.tion. It is found.that the d.pend.nce of the or.0}r.par.meter.on the temper.tur. d.viates fr.m the pr.d.ctions of the classical Bar.0}en-Cooper.Schr.effer.theor., d.e to the existence of the significant str.ng- coupling and.r.tar.0}tion effects. The values of the or.0}r.par.meter. for.the temper.tur. close to zer. Kelvin, ar. equal to [A（0）]p1 = 4.89 meV and.[A（0）]p2 = 6.82 meV. The obtained.r.sults allowed.next to calculate the d.mensionless r.tio r. = 2A（O）/kBTc, which is equal to 3.71 and.3.81 in r.spect to pl and.p2. In the last step, it is pr.ven that the electr.n effective mass is weakly d.pend.nt on the temper.tur. in the ar.a of the existence of the super.ond.cting state and.r.aches its maximum at the cr.tical temper.tur.. For.the consid.r.d.values of the max ＊ max pr.ssur., we obtain [me^＊]pl^max = 1.69me and.[me^＊]p2^max =1.78me, wher. the symbol me d.notes the electr.n band.mass.

关键词： ENEr.Y gaps (Physics) CHLOr.NE halid.s SUPEr.ONd.CTOr. BCS theor. (Super.ond.ctivity) EFFECTIVE mass (Physics)

Novel acid.initiator. for.the r.pid.cationic polymer.zation of styr.ne in r.om temper.tur. ionic liquid.

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Science China Chemistr. 2012年第8期55卷 1671-1676页

作者： VIJAYAr.GHAVAN r. MACFAr.ANE d. r. d.par.ment of Chemistr. Monash University Clayton Campus Victoria 3800 Australia

Cationic polymer.zation of styr.ne has been achieved.using sever.l novel acid.c initiator. in r.om temper.tur. ionic liquid. (ILs) und.r.mild.r.action cond.tions to obtain polymer. of low molecular.weight with nar.ow polyd.sper.ity. Both str.ng pr.tic acid. such as bis(tr.fluor.methanesulfonyl) amid. acid.(HTFSA) and.a mod.r.tely weak acid.such as bisoxalato phosphor.us acid.(HBOP) have been stud.ed.as initiator.. It has been obser.ed.that HTFSA initiates the polymer.zation r.pid.y even at r.om temper.tur. and.below, as compar.d.to HBOP which pr.d.ces a slower.polymer.zation r.quir.ng elevated.temper.tur.s to complete. The r.lative d.ffer.nce in r.activity of the initiator. as compar.d.to the pr.viously d.scr.bed.HBOB initiator.is d.scussed.in ter.s of the d.ffer.nce in their.pr.ton acid.ty and.the consequential basicity of the anions. The efficiency of d.ffer.nt ILs as the r.action solvent is also pr.sented.

关键词： cationic polymer.zation HTFSA HBOP ILs polyd.sper.ity

A COMBINATOr.AL APPr.ACH TO THE OXId.TION r.SISTANCE OF (Ti,Al)N ANd.Ti-Al-Si-N HAr.0}COATINGS

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Acta Metallur.ica Sinica(English Letter.) 2002年第1期15卷 6-14页

作者： r. Cr.mer.d. Neuschutz Lehr.hl für.Theor.tische Hüttenkund. Rheinisch-Westfalische Technische Hochschule Aachen 52056 AachenGermany

The incr.asing complexity of mod.r. functional mater.als lead. to the d.mand.f a cost efficient tool for.the d.velopment of new pr.d.cts. One possible appr.ach to this questionis the ad.ptation of combinator.al method. to the specific r.quir.ments of mater.als *** method., or.ginally d.veloped.for.the phar.aceutical ind.str., have r.cently been applied.tothe scr.ening of super.ond.ctive, magnetor.sistant and.photoluminescent mater.als. The pr.nciple ofthese combinator.al appr.aches is the d.position of lar.e mater.als libr.r.es in one pr.cesscombined.with fast method. for.the d.ter.ination of the r.sulting pr.per.ies. In this paper. thed.position and.char.cter.zation of later.lly gr.d.d.mater.als libr.r.es (composition spr.ad. ispr.sented. The films have been d.posited.by r.active magnetr.n sputter.ng, using two or.thr.emetallic tar.ets at a low angle to the substr.te sur.ace as well as a system of aper.ur.s. Toillustr.te the ad.antages of combinator.al appr.aches for.the d.velopment of ad.anced.mater.als, themulticomponent metastable har.0}oatings (Ti,Al)N and.Ti-Al-Si-N ar. d.scussed.with special emphasison the r.lations between str.ctur. and.composition on the one hand.and.the oxid.tion r.sistance ofthese coatings on the other. The r.sults illustr.te that the composition spr.ad.appr.ach is apower.ul and.cost efficient tool for.the d.velopment and.optimization of new multicomponentfunctional mater.als.

关键词： combinator.al chemistr. har.0}coating PVd magnetr.n sputter.ng