Mechanical Properties and Defective Effects of 316LN Stainless Steel by First-Principles Simulations-中国Betway体育网页登陆

摘要 IncurrentInternationalThermonuclearExperimentalReactor(ITER)design,the316LNausteniticstainlesssteel(316LNSS)isusedforfirst-wall/blanketstructures.Thus,itisnecessarytostudythefundamentalmechanicalpropertiesandirradiationeffectof316LNSS.ArandomsolidsolutionmodelofFe-Cr-Ni-Mn-Mo-Sialloyisusedfordescribing316LNSS.Usingfirst-principlesapproaches,theelasticconstantsandidealstrengthofthealloywerecalculated.SuchalloyexhibitsgoodductilebehavioraccordingtothetheoreticalvaluesofCauchypressureandratioofbulkmodulusandshearmodulus.Withinthe256-atomsupercell,inclusionofsinglevacancydefectfurtherenhancestheductilityofthealloy,andtheexistenceofinterstitial(Fe,H,He)atomsenhancestheYoungsmodulus.

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Mechanical Properties and Defective Effects of 316LN Stainless Steel by First-Principles Simulations

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