简介:蛋白质符合构造上的水的影响被在不同的水系统模仿模型蛋白质溶解酵素的分子的动力学调查。有有六戒指的水的水模型和溶解酵素水簇系统建模的TIP3P的溶解酵素水系统被评估。另外,在溶解酵素附近的溶剂的光线的分发功能是计算的。在溶解酵素附近的水分子的分发类似于水簇的,这被发现。二面的角度的分析和溶解酵素的二硫化物契约证明溶解酵素的符合构造严重地在溶解酵素水系统与那相比在溶解酵素水簇系统被损坏。这差别能被归因于在溶解酵素和水簇之间的分子间的氢契约的更大的数字的形成。是与分析一致水簇能在溶解酵素的热变性作用的过程改变变性作用的度。
简介:Basedontheboundaryintegralmethod,a3Dbubblebreakupmodelinanarrowflowfieldisestablished,andacorrespondingcomputationprogramisdevelopedtosimulatethesymmetricalandasymmetricalbubblebreakup.Thecalculatedresultsarecomparedwiththeexperimentalresultsandagreewiththemverywell,indicatingthatthenumericalmodelisvalid.Basedonthebasicbehaviorofbubblesinanarrowflowfield,thesymmetricalandasymmetricalbubblebreakupisstudiedsystematicallyusingthedevelopedprogram.Afeasibilityruleof3Dbubblebreakupispresented.Thedynamicsofsub-bubblesaftersplittingisstudied.Theinfluencesofcharacteristicparametersonbubblebreakupandsub-bubbledynamicsareanalyzed.
简介:AheavystormrainfallcausedbyTyphoonAere(No.0418)whenlandingatFujianhasbeensuccessfullysimulatedbyusingAREMmodel.Thesimulationresultisscale-separatedbyspatialband-passfiltering,whichrevealsthemesoscalelowpressureandconvergencelinethathasdirectimpactonthisrainfallprocess.Thephysicalcharacteristicsofthetwomesoscalesystemsandtheirrelationwithrainfallarealsoanalyzed.Studyshowsthatthereexistsawellcorrespondingrelationshipbetweenthestormrainfallandmesoscaledivergenceandstrongupdraftarisingfromtheconvergence,whichiscausedbytheinteractionsbetweenthemesoscalesystemsandtopographicfeatures,andisdirectlyresponsiblefortherainfall.
简介:ThenormalhypervelocityimpactofanAl-thinplatebyanAl-spherewasnumericallysimulatedbyusingtheadaptivesmoothedparticlehydrodynamics(ASPH)method.Inthismethod,theisotropicsmoothingalgorithmofstandardSPHisreplacedwithanisotropicsmoothinginvolvingellipsoidalkernelswhoseaxesevolveautomaticallytofollowthemeanparticlespacingasitvariesintime,space,anddirectionaroundeachparticle.UsingtheASPH,theanisotropicvolumechangesunderstrongshockconditionarecapturedmoreaccuratelyandclearly.ThesophisticatedfeaturesofmeshlessandLagrangiannatureinherentintheSPHmethodarekeptfortreatinglargedeformations,largeinhomogeneitiesandtracingfreesurfacesintheextremelytransientimpactprocess.Atwo-dimensionalASPHprogramiscodedwithC++.Thedevelopedhydrocodeisexaminedforexampleproblemsofhypervelocityimpactsofsolidmaterials.Theresultsobtainedfromthenumericalsimulationarecomparedwithavailableexperimentalones.Goodagreementisobserved.
简介:A2DmodelaboutcharginganddischargingprocessesinthundercloudisusedtosimulatethreedifferentialatmosphericstratificationsresultingindiscrepantthunderstormprocessesinBeijingregion.Thedynamicandmicrophysicalprocessesinthunderstormandtheirinfluenceonlightningactivitiesarealsdiscussed.Theresultsindicatethatascendingvelocityandwatervaporarethemostimportantfactorstoinfluencelightningactivities.Atthesametime,theyaffecteachotherandaretogethercontrolledbyatmosphericstratification.Themagnitudeoftheascendingvelocitydeterminestheintensityofstormandthetimewhenthethunderstormmatured.Thethunderstormwithstrongupdraftscanreachalargeheightinashorttime.Strongpersistentupdraftsandsufficientwatervaporwhichhelptogeneratemoreicephasehydrometeorsthatdirectlyinfluencecharginganddischargingprocesswillprolongthematurestageofthethunderstormandtherebyenhancelightningactivities.Thoughthebigdensityoficephasehydrometeorscanbeformed,itisdifficulttosustainalongtimeintheconditionofstrongupdraftsandscantwatervapor.Undertheconditionofweakupdraftsandsufficientwatervaporinthewholelevels,itiseasytoformwarmcloudprocessinwhichtheicephaseprocessandlightningactivitiesareweak.Thefavorablestratificationconditionsforstronglightningactivitiesarethesufficientvaporintheloweratmosphere,moderatehumidityinthemidtroposphere,biginstabilityenergyandsomesuitableconvectiveinhibition.Throughcalculatingsomeatmosphericinstabilityparameters,itisindicatedthatconvectiveinstabilityindexsmallerthan-10℃(negativemeansinstable),convectiveavailablepotentialenergylargerthan1000Jkg~(-1),convectiveinhibitionlargerthan40Jkg~(-1),the700-hPapotentialequivalenttemperaturelargerthan340Kandthe35%-85%humidityinthemidtroposphere(700-400hPa)aretheadvantageousconditionsforstronglightningactivities.
简介:Usingmoleculardynamics(MD)methodscombiningwithtwo-stepradiationheatingmodel,themechanismsofablationandthethermodynamicstatesatNisurfaceunderfemtosecondlaserirradiationareinvestigated.Simulationresultsshowthatthemainmechanismsofablationareevaporationandtensilestressesgeneratedinsidethetarget.Thevelocityofstresswaveispredictedtobenearlyequaltosoundvelocity.Theratesofablationatdifferentfluencesobtainedfromsimulationsareingoodagreementwithexperimentaldata.Superheatingphenomenonisalsodiscovered.
简介:Inthispaper,adrivingstressfiniteelementmethodofelastic-plasticlargedeformationbasedonimplicittimeintegratingalgorithmandaneight-chainmolecularnetworkmodelisusedforthenumericalsimulationofthesimplesheartestofpolycarbonate(PC)materials.Thesimulatedresultsarecomparedwithexperimentalones.Thestrainlocalizationpropagationfortheshearbanddeforma-tionforsimplesheardeformationisinvestigatednumerieaUy.TheeffectsofmicrostructureparametersinthemodelonstrainsofteningandorientationhardeningofthePCarediscussedindetail.
简介:一个数学模型被提出了基于为在水的暂停调查microparticles的沉积行为联合了连续、分离的粒子方法由把同样连续的液体阶段和粒子阶段当作分离,因此允许要列在后面的单个粒子和作为时间的功能要调查的粒子阶段的结构的进化的行为。模型考虑大多数包括货车derWaals对单个粒子起作用的占优势的力量吸引人,静电排斥,重力,Brownian,弄空,位,联系并且拖力量。代码也基于模型被开发了。这份报纸报导在各种各样的条件下面在水的暂停安定的单音分散microparticles的一些初步的建模结果。结果显示出液体阶段的短时间动力学,它有一个类似的数量级到粒子阶段。当他们的尺寸变得很小时,如此的短时间动力学能忍受意义到象粒子聚集那样的过程。结果的初步的分析也在粒子基于一个最新建议的参数安定的进化上被执行了,本地规范的卷部分(LNVF)。
简介:Duringtheingotcastingprocess,theparametricchangesofthemoltensteelpouringprocessoftencausebothingotsurfaceandinternalqualitydefects.Withtheincreasinglywideapplicationofcomputersinindustrialtechnology,numericalsimulationsofthemoltensteelpouringprocessenablepredictionsofthedefectsthatwillariseduringthepouringandsolidificationprocess,especiallyforthemoltensteelflowduringtheearlystagesofcasting.Inaddition,usingacomputertosimulatethecastingprocessofa40tingotandsolidificationcanpreventmanydefects.Thesimulationresultsindicatethatcontrollingthepouringspeedtolessthan80kg/s,hangingthecastingpowderinamoldwiththehangingheightmaintainedat100-150mm,andcontrollingthetaperangleofthemoldbrickoutlettoasuitablelevelcanreducetheprobabilityofslagentrapmentandimprovetheinternalandsurfacequalityoftheingot.
简介:Inordertoimplementlarge-scaleandhigh-betatokamaksimulation,anewalgorithmoftheelectromagneticgyrokineticPIC(particle-in-cell)codewasproposedandinstalledontheGpic-MHDcode[GyrokineticPICcodeformagnetohydrodynamic(MHD)simulation].Inthenewalgorithm,thevorticityequationandthegeneralizedOhm’slawalongthemagneticfieldarederivedfromthebasicequationsofthegyrokineticVlasov,Poisson,andAmperesystemandareusedtodescribethespatio-temporalevolutionofthefieldquantitiesoftheelectrostaticpotentialφandthelongitudinalcomponentofthevectorpotentialAz.Thebasicalgorithmisequivalenttosolvingthereduced-MHD-typeequationswithkineticcorrections,inwhichMHDphysicsrelatedtoAlfvenmodesarewelldescribed.Theestimationofperturbedelectronpressurefromparticledynamicsisdominant,whiletheeffectsofothermomentsarenegligible.Anotheradvantageofthealgorithmisthatthelongitudinalinducedelectricfield,Etz=-■z/■t,isexplicitlyestimatedbythegeneralizedOhm’slawandusedintheequationsofmotion.Furthermore,theparticlevelocitiesalongthemagneticfieldareused(vz-formulation)insteadofgeneralizedmomentums(pz-formulation),hencethereisnoproblemof’cancellation’,whichwouldotherwiseappearwhenAzisestimatedfromtheAmpere’slawinthepz-formulation.ThesuccessfulsimulationofthecollisionlessinternalkinkmodebythenewGpic-MHDwithrealisticvaluesofthelarge-scaleandhigh-betatokamaksrevealedtheusefulnessofthenewalgorithm.
简介:Boththeoreticalandfieldobservationswereexaminedtostudythecloserelationshipbetweensoildegenerationandtheevolutionofgrasslandvegetation.Ageneraln-speciesmodelofequalcompetitionunderdifferentdegreesofsoildegradationwasappliedtofielddatainordertoprobethedynamicprocessesandmechanismsofvegetationevolutionduetotheeffectsofthesoil'secologicaldeteriorationongrasslandvegetation.Comparisonsweremadebetweenthetheoreticalresultsandthepracticalsurveyswithsatisfactoryresults.
简介:Theinfraredcameraisusedtoinvestigatethetemperaturefieldofgasmetalarcwelding.Theresultsshowthatthetemperaturedistributionofweldpoolandadjacentareaappearsconeshape.AnewheatsourcemodelcombinedbyGaussiandistributionheatsourceofthearcandconicaldistributionheatsourceofthedropletissetupbasedontheexperimentalresults,andwiththecombinedboundaryconditions,thetemperaturefieldofgasmetalarcweldingissimulatedusingfiniteelementmethod.AccordingtothecomparisonbetweentheresultsofexperimentandsimulationintemperaturefieldshowsthatthenewcombinedheatsourcemodelismoreaccurateandeffectivethantheGaussheatsourcemodel.