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1、Fromnanotomacro:IntroductiontoatomisticmodelingtechniquesIAP2007IntroductiontoMechanicsofMaterialsLecture1MarkusJ.Buehler©2007MarkusJ.Buehler,CEE/MITIntroduction–IAPCourse¢Introducelarge-scaleatomisticmodelingtechniquesandmotivateitsimportanceforsolvingproblems
2、inmodernengineeringsciences.¢Demonstratehowatomisticmodelingcanbesuccessfullyappliedtounderstanddynamicalmaterialsfailureof£Ductilematerials£Brittlematerials£Small-scale(“nano”-)materials–biologicalmaterials¢Focusonbrittleandductilematerialsbehavioraswellasmech
3、anicsofbiologicalmaterials;provideintroductiontohands-onprocedureofatomisticmodelingoffracture¢Targetgroup:Undergraduateandgraduatestudents¢Goal:Aftertheclass,studentsshouldhaveabasicunderstandingaboutthefundamentals,applicationareasandpotentialofclassicalmolec
4、ulardynamicsforproblemsinmechanicsofmaterials.Particularemphasisisondevelopingasensitivityforthesignificanceofmechanicsindifferentareas,andhowatomisticandcontinuumviewpointscanbecoupled.©2007MarkusJ.Buehler,CEE/MITFormat¢Ca.8lectures~90minuteseach,withtimefordi
5、scussionandquestions¢Severalsmallerproblemsets¢Onelecture:Introductiontoproblemset¢Hands-onproblemset(lastpart,project),introducingtypicaltasksinmolecularmodelingoffractureanddeformation£Nanocrystalwithcrackundertension£Tensiletestofananowire£Unfoldingofaprotei
6、n¢Coursematerialpostedonthewebsite(introductiorypapers,books,etc.)Checkforupdatesandsupplementarymaterial©2007MarkusJ.Buehler,CEE/MITOutline1.IntroductiontoMechanicsofMaterialsBasicconceptsofmechanics,stressandstrain,deformation,strengthandfractureMondayJan8,09
7、-10:30am2.IntroductiontoClassicalMolecularDynamicsIntroductionintothemoleculardynamicssimulation;numericaltechniquesTuesdayJan9,09-10:30am3.MechanicsofDuctileMaterialsDislocations;crystalstructures;deformationofmetalsTuesdayJan16,09-10:30am4.DynamicFractureofBr
8、ittleMaterialsNonlinearelasticityindynamicfracture,geometricconfinement,interfacesWednesdayJan17,09-10:30am5.TheCauchy-BornruleCalculationofelasticpropertiesofatomiclattices
