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AbriefintroductiontosimulationandvisualizationsoftwareLAMMPS、OVITO2017.10.201、Introductiontomoleculardynamics.2、WhatisLammps?
@#@3、CommandsofLammps.4、HowtousevisualizationsoftwareOVITO?
@#@ReportcontentAtomicdiffusionSurface,interface,defectCrystalgrowth,SolidphasetransitionMelting,solidification,amorphousformationMechanicalpropertiesPhonon,thermodynamicproperties1.TheapplicationofMDReportcontent2.MDPotentialfunctionPairpotential:
@#@Lennard-Jones、MorseMultiplebodypotentialEAM、Finnis-Sinclair,ExtendedFSSMA-TB、SmoothedSMA-TBJohnson、Mishin、ZhouConsidertheangleeffectMEAM/2NN-MEAMStillinger-Weber、TersoffBond-Orderpotential二、Lammps软件的基本介绍Lammps？
@#@Large-scaleAtomic/MolecularMassivelyParallelSimulatorAdvantage：
@#@uFreeopensourcecode;@#@canbemodifiedaccordingtoneedtoexpandthecalculationprocess（C+）uSimulatethesolid,liquid,gasstateuSimulatemillionsofparticlesuConvenientparallelcomputingAtomiccreation：
@#@（Command：
@#@read_data,lattice,create-atoms,delete,replicate）ReadtheatomfromthefileCreatesanatominoneormorelatticesDelete,copy,replaceOutput：
@#@（Command：
@#@dump,restart）Theposition,speed,acceleration,energy,pressureoftheatom4.LAMMPSexampleSimulationofSolidificationofCubyEAMPotentialCu：
@#@Latticestructure：
@#@FCC，4atoms/cellLatticeconstant：
@#@3.615Construct666supercellcells,864atoms，lx=ly=lz=21.69VisualizationofAtomicStructures：
@#@OvitoOvitointerface输出数据文件StepTemperaturePotentialenergyTotalenergyPressureVolumeScriptfileCalculationresultanalysisGlasstransitiontemperature：
@#@Tg1000KeV/atomJ/molp0,H=U+pVUMeansquaredisplacement（MSD）:
@#@Forbinaryalloys,theself-diffusioncoefficientDAandDBareobtainedfromtheslopeoftheMSD.AccordingtoDarkenslaw,theinterdiffusioncoefficientis：
@#@Dalloy=xBDA+xADBPDF:
@#@Thesecondpeaksplitsintotwopeaks,usuallyasignofamorphousformationSimulationprocess：
@#@EnterthefileRunOutputresultsVisualizationResultanalysisLammps-themainpartofthefile1.Initialization2.Atomdefinition3.Setting4.RunasimulationOVITO
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