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1、西北工业大学硕士学位论文AbstractInthispaper,thecalculationmethodoftheenergyparameterforcoppers,lithium,aluminummonatomicandcompound,solidsolution,alloybasedonaluminumwerederivedoutundertheelectricfieldforthefirsttime.Theenergyparameterssuchasenergy,pressure,Helmholtzfree
2、energy,Gibbsfreeenergyandentropyundertheelectricfieldwerecalculatedandstudiedsystematically.BasedonThomas-Fermiequation,thecalculationmethodsofthemonatomicentropy,Helmholtzfreeenergy,Gibbsfreeenergyweredrivenout.Onthebasisofthese,followingtherequestsoftheaver
3、ageatommodel,usingvolumeaddingmethodandcirculationtarget-shootingmethod,thecalculatingmethodshavebeenextendedtothecaseofcompound,solidsolution,andalloy.Besides,theinteriorpotentialboundaryconditionundertheelectricfieldhasbeendefined.Energyparameterscalculatio
4、nmethodsofmonatomic,compound,solidsolution,andalloyundertheelectricfieldhavebeensetup.Energyparameters,suchasenergy,pressure,Helmholtzfreeenergy,Gibbsfreeenergyandentropy,whichpresentthecurveformwiththechangeoftheelectricfieldhavebeenfoundtothemonatomic,compo
5、und,solidsolution,andalloy.Energyparametersvibratedneartheareaoftheextremevalue,twominimumandsomeexists.Thelocationsofextremevalue,maximum,minimumweredifferentwhentemperaturewasdifferent.Thesymmetricallawoftheenergyparametercurvesunderpositiveandnegativeelect
6、ricfieldhasbeendrivenout.Copper,lithium,aluminummonatomicpresentthatzeropointisnotsymmetrical,AI-2.14w1.%Lisolidsolutionpresentthatitisapproximatetothezeropointsymmetry,Al3Licompoundpresentthatthezeropointisnotsymmetrywhenthetemperatureis800K,anditisapproxima
7、tetothezeropointsymmetricallywhenthetemperatureis460K.1420Al-Lialloy,2090Al-LialloyandLY12aluminumalloy,areapproximatetothezeropointsymmetryatthebothtemperatures.At460K,minimumsofthepositiveelectricfieldarehigherthanminimumofnegativeelectricfield.IVAbstractEn
8、ergyparameterofcopperatomunderelectricfieldisthemostsensitivefunction,aluminum,lithiumtakethesecondplace.At460K,theenergyparametervaluesofAhLicompoundareobviouslylowerthanthatat800Kandtha
