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Data on fifth-degree elastic energy for predictive continuum stress-strain relations and elastic instabilities under large strain and complex loading in silicon

dataset
posted on 2020-07-20, 15:05 authored by Hao Chen, Nikolai ZarkevichNikolai Zarkevich, Valery LevitasValery Levitas, Duane Johnson, Xiancheng Zhang
This dataset contains raw data from DFT study of deformation of Si I single crystal under action of all six components of large strain (or stress) tensor, as well as digital data for all figures in the paper:
Chen H., Zarkevich N. A., Levitas V. I., Johnson D. D., and Zhang X. Fifth-degree elastic energy for predictive continuum stress-strain relations and elastic instabilities under large strain and complex loading in silicon. NPJ Computational Materials, 2020, https://doi.org/10.1038/s41524-020-00382-8.

Funding

Plasticity, Phase Transformations, and their Interaction under High Pressure in Silicon

Directorate for Engineering

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Deformation of Metals under High Pressure: Multiscale Stress Fields, Plasticity, and Phase Transformations

Directorate for Mathematical & Physical Sciences

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Prestressing Metal Fuel Particles for Enhanced Reactivity

United States Department of the Navy

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Vance Coffman Faculty Chair Professorship

Department of Energy, Office of Science, Basic Energy Sciences, Materials Science & Engineering Division

National Key Research and Development Program of China (2018YFC1902404)

National Natural Science Foundation of China (51725503, 51975211)

Innovation Program of Shanghai Municipal Education Commission (2019-01-07-00- 02-E00068)

History