HeManchao1, HanZongfang1, 2. Molecular dynamics simulation of deformation and failure mechanism of kaolinite at different temperatures[J]. Journal of Mining Science and Technology, 2019, 4(1): 8-16.
Citation: HeManchao1, HanZongfang1, 2. Molecular dynamics simulation of deformation and failure mechanism of kaolinite at different temperatures[J]. Journal of Mining Science and Technology, 2019, 4(1): 8-16.

Molecular dynamics simulation of deformation and failure mechanism of kaolinite at different temperatures

  • Received Date: 2018-11-26
  • Rev Recd Date: 2018-11-26
  • Publish Date: 2019-02-28
  • UniaxialtensilesimulationswerecarriedoutinOA,OBandOCdirectionsofkaoliniteatdifferent temperaturesbyusingmoleculardynamicssimulations*Thedeformationandfailureprocessesofkaolinite werestudiedattheatomisticscale*Thechangeofmicrostructure,deformationmechanismandtemperature effectoftensilemechanicalpropertiesofkaoliniteatdifferenttemperatureswerealsoanalyzed*Thiswork wouldbehelpfultounderstandthemechanismsoflargedeformationandfailureofsoftrock*Theresultsindi⁃ catedthattheincreasingoftemperatureresultsinthethermalexpansionofkaoliniteafterrelaxation*Once thecracknucleationappears,itpropagatesveryquicklyandleadstoasharpdecreaseinstressalongOAand OBloadingdirections*ThelayerseparationoccursduringloadingalongOCdirection,whilethestructure couldfailsincethehydrogenbondsarebroken*Themechanicalpropertiesofkaolinitehaveastrongdepend⁃ enceontemperature*Thereisanegativecorrelationbetweentensilestrength,Young*smodulusandtempera⁃
    ture*Withtheincreaseoftemperature,thetensileultimatestrainandresidualstrengthtendtodecrease,and thestrengthattenuationcoefficienttendtoincrease*Inaddition,OCdirectionisthemostaffectedbythetem⁃ perature,followedbyOBdirection,andOAdirectionistheleastaffected*
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