Closing the Gap Between Nano- and Macroscale: Atomic Interactions vs. Macroscopic Materials Behavior

Böhme, Thomas; Hammerschmidt, Thomas; Drautz, Ralf; Pretorius, Th.

doi:10.5772/23794

Cited by 1 publication

(1 citation statement)

References 77 publications

(84 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[146] The parameters used in the continuum temporal models are taken from the phenomenological coefficients, such as elastic tensors, viscosities, diffusivities, equation of states, all of which can be obtained from experiments or atomic-scale simulations. [148] The finite element method (FEM) is a numerical technique for approximating solutions to partial differential equations, [149] in which the boundary value problem is the main issue. In LIBs, the thermal behavior during abuse, the distribution of stress and the current and voltage within the inner region are all related to the boundary problems, which can be investigated theoretically by solving the heat-or mattertransport equations under specific boundary conditions, although finding the exact solution is almost impossible.…”

Section: Macroscale Modelingmentioning

confidence: 99%

Multi-scale computation methods: Their applications in lithium-ion battery research and development

et al. 2016

View full text Add to dashboard Cite

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales.

show abstract

Section: Macroscale Modelingmentioning

confidence: 99%