Energy-momentum conserving integration schemes for molecular dynamics
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Publication:2241865
DOI10.1007/s00466-020-01971-6zbMath1479.74128arXiv2005.05869OpenAlexW3121643991WikidataQ113326764 ScholiaQ113326764MaRDI QIDQ2241865
Publication date: 9 November 2021
Published in: Computational Mechanics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2005.05869
time integrationperiodic boundary conditionmolecular dynamicsconserving schemefunctional potentialthree-body interaction force
Finite difference methods applied to problems in solid mechanics (74S20) Molecular, statistical, and kinetic theories in solid mechanics (74A25)
Related Items (3)
Conservative integrators for many-body problems ⋮ On the design of non-singular, energy-momentum consistent integrators for nonlinear dynamics using energy splitting and perturbation techniques ⋮ A thermodynamically consistent time integration scheme for non-linear thermo-electro-mechanics
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Cites Work
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