From 674f9cca6441da8dc8046e406708d50822423e5e Mon Sep 17 00:00:00 2001 From: bpuchala Date: Thu, 15 Aug 2024 11:56:17 -0400 Subject: [PATCH] restore bib entry --- doc/refs.bib | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/doc/refs.bib b/doc/refs.bib index baecfc2..54929d1 100644 --- a/doc/refs.bib +++ b/doc/refs.bib @@ -1,3 +1,17 @@ +@article{THOMAS2017a, +title = {The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials}, +journal = {Journal of the Mechanics and Physics of Solids}, +volume = {107}, +pages = {76-95}, +year = {2017}, +issn = {0022-5096}, +doi = {https://doi.org/10.1016/j.jmps.2017.06.009}, +url = {https://www.sciencedirect.com/science/article/pii/S0022509616309309}, +author = {John C. Thomas and Anton {Van der Ven}}, +keywords = {Finite strain, Elastic material, Anisotropic material, Constitutive behavior, Numerical algorithms}, +abstract = {Conventional approaches to analyzing the very large coherency strains that can occur during solid-state phase transformations are founded in linear elasticity and rely on infinitesimal strain metrics. Despite this, there are many technologically important examples where misfit strains of multi-phase mixtures are very large during their synthesis and/or application. In this paper, we present a framework for constructing strain-energy expressions and stress-strain relationships beyond the linear-elastic limit for crystalline solids. This approach utilizes group theoretical concepts to minimize both the number of free parameters in the strain-energy expression and amount of first-principles training data required to parameterize strain-energy models that are invariant to all crystal symmetries. Within this framework, the strain-energy and elastic stiffness can be described to high accuracy in terms of a set of conventional symmetry-adapted finite strain metrics that we define independent of crystal symmetry. As an illustration, we use first-principles electronic structure data to parameterize strain energy polynomials and employ them to explore the strain-energy surfaces of HCP Zr and Mg, as well as several important Zr-H and Mg-Nd phases that are known to precipitate coherently within the HCP matrices of Zr and Mg.} +} + @article{CASM, title = {CASM — A software package for first-principles based study of multicomponent crystalline solids}, journal = {Computational Materials Science},