简介:Thediffusionmechanismofboroninbcc-Fehasbeenstudiedbyfirst-principlescalculations.Thediffusioncoefficientsoftheinterstitialmechanism,theB–monovacancycomplexmechanism,andtheB–divacancycomplexmechanismhavebeencalculated.ThecalculateddiffusioncoefficientoftheinterstitialmechanismisD0=1.05×10-7exp(-0.75eV/kT)m2·s-1,whilethediffusioncoefficientsoftheB–monovacancyandtheB–divacancycomplexmechanismsareD1=1.22×10-6f1exp(-2.27eV/kT)m2·s-1andD2≈8.36×10-6exp(-4.81eV/kT)m2·s-1,respectively.Theresultsindicatethatthedominantdiffusionmechanisminbcc-Feistheinterstitialmechanismthroughanoctahedralinterstitialsiteinsteadofthecomplexmechanism.ThecalculateddiffusioncoefficientisinaccordancewiththereportedexperimentresultsmeasuredinFe–3%Si–Balloy(bccstructure).Sincethenon-equilibriumsegregationofboronisbasedonthediffusionofthecomplexesassuggestedbythetheory,ourcalculationreasonablyexplainswhythenon-equilibriumsegregationofboronisnotobservedinbcc-Feinexperiments.
简介:材料处于辐照条件下会产生缺陷,这些微观缺陷积累会在宏观上有所体现。本文选用不同能量的原子向bcc-Fe表面进行碰撞,会产生位移级联现象。本文利用基于LAMMPS程序的分子动力学模拟方法,研究不同能量的初级碰撞原子对bcc-Fe缺陷数量的影响。结果表明,辐照损伤会对材料产生一定的缺陷;本文主要研究了在辐照损伤过程中,初级碰撞原子能量分别为700ev、1Kev、2Kev对材料缺陷数量的影响。初级碰撞原子能量对最大缺陷数目产生了一定的影响,当初级碰撞原子能量为700ev时,最大缺陷数目(间隙原子数目=空位数目)为45个;初级碰撞原子能量为1Kev时,最大缺陷数目(间隙原子数目=空位数目)为75个;当初级碰撞原子能量为2Kev时,最大缺陷数目(间隙原子数目=空位数目)为155个;随着初级碰撞原子能量的增加,缺陷数量随之增加,但初级碰撞原子能量对体系达到稳定状态时的缺陷数目影响不大。
简介:引入了BCC-代数的BCC-关联理想、BCC-交换理想及BCC-正关联理想、FuzzyBCC-关联理想、FuzzyBCC-交换理想和FuzzyBCC-正关联理想等概念,并得到一些有趣的结果.
简介:TheballmillingofFe-24MnandFe-24Mn-6Simixedpowdershasbeenperformedbythehighenergyballmillingtechnique.ByemployingX-raydiffractionandMoessbauermeasurements.Theccmpositionevolutionduringthemillingprocesshasbeeninvestigated.TheresultsindicatetheformationofparamagneticFe-MnorFe-Mn-Sialloyswithametastablefccphaseasfinalproducts.whichimplythattheFeandMnproceedaco-diffusionmeenanismthroughthesurfaceoffragmentedpowders.Thethermalstabilityandcompositionevolutionoftheas-milledalloyswerediscussedcomparingwiththebulkalloy,.
简介:FenanowirearraywithstrongshapeanisotropywasemployedasthesoftphaseinNd-Fe-Bbasednanocomposites.TheeffectsoftheFenanowiredistributiononmagneticpropertiesofthenanocompositeswereinvestigatedbymicromagneticsimulation.TheresultsindicatethattheshapeanisotropyofFewiresaddedinthesamedirectionastheuniaxialmagnetocrystallineanisotropyofthehardphasecannotincreasethecoercivityofthenanocomposite.Whenthenanowiresaredistributedperpendiculartotheeasyaxisofthehardphase,theshapeanisotropyofsoftphasecanretardthemomentsfromrotatingtothefullreverseddirection,leadingtoenhancedcoercivity.Inaddition,withincreasingthenanowirediameter,thecoercivityofthenanocompositedecreases,butthedipolarinteractionshowsdifferentrolesinmagneticreversalofnanocompositefordifferentdistributionsofnanowires.ThecurrentresultssuggestthatthecoercivityoftheNd2Fe14B/α-Fenanocompositecanbeenhancedbyintroducingthesoftmagneticnanowirearraywiththediameterlessthantheexchangelengthandwiththelongaxisalongthedirectionotherthantheeasyaxisofhardphase.
简介:摘要目的分析临床科室的医疗服务产出效率,为医院合理配置资源和提高服务效率提供切入点。方法运用数据包络分析(DEA)的经典BCC模型对某院44个临床科室的医疗服务效率进行评价,分析其综合效率、纯技术效率、规模效率和规模收益。投入指标分别为医护人员数量、医疗成本、期末实有床位数,产出指标为疾病诊断相关分组(DRG)指标,包括DRG组数、总权重、病例组合指数、费用消耗指数、时间消耗指数和中低风险组死亡率。结果2018年全院的综合效率、纯技术效率、规模效率平均值分别为0.897、0.920和0.975,DEA相对有效科室16个(占36%),弱有效科室7个(占16%),非有效科室21个(占48%)。在产出不变的情况下,非DEA有效科室期末实有床位、医护人员、医疗业务支出的冗余率分别为17.3%、20.3%和17.1%;在投入不变的情况下,非DEA有效科室均存在产出不足情况。结论该医院医疗服务综合效率较为理想,但非DEA有效科室占比较高,建议通过优化资源投入、强化学科建设、加强成本管控等方式提升医疗服务效率。
简介:铁矿石经浓盐酸和少量的SnCl2溶液加热到45℃溶解后,用SnCl2-TiCl3还原滴定Fe(Ⅲ),使Fe(Ⅲ)还原为Fe(Ⅱ),再以K2Cr2O7滴定全铁含量。本方法对实验操作温度,试样溶解酸的选择有一定的要求,宜选用非氧化性强酸在30-60℃溶解矿样。
简介:为了提高BCC_CSM气候系统模式运行效率,保障业务科研工作的顺利开展,进行BCC_CSM气候系统模式在IBM高性能计算系统的移植工作;通过性能优化使BCC_CSM模式运行效率显著提高,通过气候要素形势场分布和相对误差量化指标对BCC_CSM气候系统模式模拟性能进行验证。结果表明:移植优化后,BCC_CSM气候系统模式计算效率提高为原来的1.4倍;基于CMIP5piControl试验,完成531—540年10a的气候模拟,全球年平均地表气温形势场分布合理,相对误差小于0.5%,BCC_CSM气候系统模式计算和模拟性能均能满足应用需求。
简介:利用密度泛函理论(DensityFunctionalTheory)中的B3LYP方法在6-311+G(d,p)的计算水平上研究了Fe/Fe_2与NO反应的相关微观机理.全参数优化了Fe+NO和Fe_2+NO反应体系在不同重态反应势能面上各驻点的几何结构,并用频率分析法以及内禀反应坐标(IntrinsicReactionCoordinate)方法对过渡态进行了验证,得到了相对应的反应的微观反应路径.用"两态反应"分析反应机理,计算结果表明2个体系的优先选择路径均为低自旋态进入和高自旋态离开反应.通过对2个体系反应活化能的比较,Fe_2+NO体系更易进行.
简介:PositronannihilationbehaviorshavebeenstudiedinthesinglephaseNd2Fe14BmagnetandthenanocompositeNd2Fe14B/α-Femagnet,preparedbymeltspinning.Theresultsshowedthatthenumberofvacancy-clusteratgrainboundariesincreaseswithincreasingannealingtemperatureforthebothtypesofmagnets.Theincreaseofthiskindofdefectcanimprovethecoercivityof
简介:Toeffectivelysolvetheagglomerationproblemsinthesolidstatereactionprocess,pre-addingglucoseisadoptedtothesynthesisofLiFePO4/CenergymaterialsusingFe–Pwasteslag.Theaverageparticle&grainsizeofLiFePO4/Cdecreases,andtheimpuritiesinLiFePO4/Ccompositesreducetoagreatextent.Itmakesgreatsensetothemassindustrialproduction.Theoptimumsynthesisconditionsdeterminedinthisworkarebasedontheorthogonalexperiments.Thesamplessynthesizedinascaleof500gexhibithighpurity,excellentelectrochemicalperformance,highreactionactivity,goodreversibility,andlowpolarizationlevel.Thedischargecapacitiesare145,134,117,and102mAh/gatthecurrentdensitiesof0.1C,0.2C,0.5Cand1C,respectively.ThisworkputsforwardapracticalsuggestionformassproducingenvironmentalbenignandlowcostLiFePO4/Cascathodematerialsoflithiumionbatteries.
简介:1.IntroductionSofarthemicrostructureandcoercivityofSm(Co,Cu,Fe,Zr)7.4alloyhavebeenstudiedindetailbyvariousauthors.TheeffectofZr-richlaminarphasestructureonthehighcoecivityofalloyismoreattractive.Thechangesofmagnetic