Fifth-degree elastic energy for predictive continuum stress–strain relations and elastic instabilities under large strain and complex loading in silicon
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The Department of Aerospace Engineering seeks to instruct the design, analysis, testing, and operation of vehicles which operate in air, water, or space, including studies of aerodynamics, structure mechanics, propulsion, and the like.
History
The Department of Aerospace Engineering was organized as the Department of Aeronautical Engineering in 1942. Its name was changed to the Department of Aerospace Engineering in 1961. In 1990, the department absorbed the Department of Engineering Science and Mechanics and became the Department of Aerospace Engineering and Engineering Mechanics. In 2003 the name was changed back to the Department of Aerospace Engineering.
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1942-present
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- Department of Aerospace Engineering and Engineering Mechanics (1990-2003)
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- College of Engineering (parent college)
- Department of Engineering Science and Mechanics (merged with, 1990)
Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.
For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.
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Abstract
Materials under complex loading develop large strains and often phase transformation via an elastic instability, as observed in both simple and complex systems. Here, we represent a material (exemplified for Si I) under large Lagrangian strains within a continuum description by a 5th-order elastic energy found by minimizing error relative to density functional theory (DFT) results. The Cauchy stress—Lagrangian strain curves for arbitrary complex loadings are in excellent correspondence with DFT results, including the elastic instability driving the Si I → II phase transformation (PT) and the shear instabilities. PT conditions for Si I → II under action of cubic axial stresses are linear in Cauchy stresses in agreement with DFT predictions. Such continuum elastic energy permits study of elastic instabilities and orientational dependence leading to different PTs, slip, twinning, or fracture, providing a fundamental basis for continuum physics simulations of crystal behavior under extreme loading.
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This article is published as Chen, Hao, Nikolai A. Zarkevich, Valery I. Levitas, Duane D. Johnson, and Xiancheng Zhang. "Fifth-degree elastic energy for predictive continuum stress–strain relations and elastic instabilities under large strain and complex loading in silicon." npj Computational Materials 6, no. 1 (2020): 115. DOI: 10.1038/s41524-020-00382-8. Posted with permission.