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:
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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.
|
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
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1??StateKeyLaboratoryforGeoMechanicsandDeepUndergroundEngineering,Beijing100083,China; 2??SchoolofMechanicandCivilEngineering,ChinaUniversityofMiningandTechnology,Beijing100083,China
- Received Date: 2018-11-26
- Rev Recd Date:
2018-11-26
- Publish Date:
2019-02-28
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Abstract
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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