MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING

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摘要 Abetterunderstandingofarecentlyraisedargumentonwhetherthereoccursastructurechangeduringyieldinghasbeenacquiredbyusingmolecularsimulation.Thatis,whenmonitoringthedisplacementsofallatomsbeforeandaftertheyield,astructuretransitiondoesoccur,whichisthe'atomicjump'thatcoordinatestheamountoftheatomsinthepolymerandmakesalargestepbeyond--0.05nmforallthoseatoms.Resultsindicatethatthecomplexofpolymerchainpackinginducesthemultipleatomicjumpsaroundtheyieldpoint.Thisexplainswhypolymershaveabroaderyieldingpeak.``
机构地区 不详
出版日期 2001年05月15日(中国期刊网平台首次上网日期,不代表论文的发表时间)