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Atoms‐to‐Confinuum (AtC) user package for LAMMPS

Atoms‐to‐Confinuum (AtC) user package for LAMMPS

Atoms‐to‐Confinuum (AtC) user package for LAMMPS

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2<br />

ObjecMves<strong>for</strong>Package<br />

• CalculaMonofconMnuummechanicalvariablesfrom<br />

atomisMcsimulaMondatausingtheHardy’sEulerian<br />

<strong>for</strong>mulaMonandourLagrangian<strong>for</strong>mulaMon.<br />

• CouplingofatomisMc(MD,MS)andconMnuum(finite<br />

element)regions<strong>for</strong>rigorousthermaland<br />

mechanicalboundarycondiMons.<br />

• Couplingtoemulateelectronictemperatureeffects<br />

inmetalsviathetwotemperaturemodel(TTM).<br />

Electron-transport enhanced simulation of<br />

heating and de<strong>for</strong>mation of a metallic CNT<br />

Compressive stress field <strong>for</strong> an atomic<br />

simulation of shock loading

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