Periodic boundary conditions for arbitrary deformations in molecular dynamics simulations
Paul L. Barclay, Duan Zhang
Topics & Concepts
Shearing (physics)Molecular dynamicsIsotropyPhysicsClassical mechanicsPeriodic boundary conditionsMechanicsBoundary value problemKinematicsShear (geology)Couette flowDeformation (meteorology)Mathematical analysisMathematicsFlow (mathematics)Materials scienceThermodynamicsOpticsComposite materialQuantum mechanicsMeteorologyHigh-pressure geophysics and materialsTheoretical and Computational PhysicsMaterial Dynamics and Properties