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Third-order elasticity (TOE) theory is predictive of strain-induced changes in second-order elastic coefficients (SOECs) and can model elastic wave propagation in stressed media. Although third-order elastic tensors have been determined…

Materials Science · Physics 2022-12-12 Chenxing Luo , Jeroen Tromp , Renata M. Wentzcovitch

Criteria of selecting strain and fitting schemes are proposed for the calculation of higher-order elastic constants more efficiently, robustly and accurately. As demonstrated by the third-order elastic constants (TOECs) of diamond, the…

Materials Science · Physics 2020-09-22 Mingqing Liao , Yong Liu , Fei Zhou , Tianyi Han , Danni Yang , Nan Qu , Zhonghong Lai , Zi-Kui Liu , Jingchuan Zhu

We investigate the elastic properties of selected zincblende III-V semiconductors. Using hybrid functional density functional theory we calculate the second and third order elastic constants, and first and second-order internal strain…

Computational Physics · Physics 2018-12-12 Daniel S. P. Tanner , Miguel A. Caro , Stefan Schulz , Eoin P. O'Reilly

In this letter, we study the higher-order effect on the third-order elastic constants (TOECs) of diamond using longitudinal stress-uniaxial strain (LSUS) approach based on density functional theory. The result shows that the higher-order…

Materials Science · Physics 2021-06-11 Mingqing Liao , Yong Liu , Yi Wang , Fei Zhou , Nan Qu , Tianyi Han , Danni Yang , Zhonghong Lai , Zi-Kui Liu , Jingchuan Zhu

Elastic constants and mechanical properties play a pivotal role across multiple disciplines and engineering applications. We introduced the optimized high-efficient strain-matrix set (OHESS) that determines the second-order elastic…

Materials Science · Physics 2023-08-29 Zhong-Li Liu , Ya-Dong Wei , Xiao-Dong Xu , Wei-Qi Li , Gang Lv , Jian-Qun Yang , Xing-Ji Li , Chinedu E. Ekuma

Consider the constitutive law for an isotropic elastic solid with the strain-energy function expanded up to the fourth order in the strain, and the stress up to the third order in the strain. The stress-strain relation can then be inverted…

Soft Condensed Matter · Physics 2013-02-01 Michel Destrade , Ray W. Ogden

We present theoretical studies for the third-order elastic constants $C_{ijk}$ in zinc-blende nitrides AlN, GaN, and InN. Our predictions for these compounds are based on detailed ab initio calculations of strain-energy and strain-stress…

Materials Science · Physics 2009-11-13 Michal Lopuszynski , Jacek A. Majewski

Studying the response of materials to strain can elucidate subtle properties of electronic structure in strongly correlated materials. So far, mostly the relation between strain and resistivity, the so called elastoresistivity, has been…

New results are presented for the degeneracy condition of elastic waves in anisotropic materials. The existence of acoustic axes involves a traceless symmetric third order tensor that must vanish identically. It is shown that all previous…

Materials Science · Physics 2007-05-23 A. N. Norris

Thermodynamic framework of finite strain viscoelasticity with second order weak nonlocality in the deformation gradient is investigated. The application of Liu procedure leads to a class of third grade elastic materials where the second…

Soft Condensed Matter · Physics 2011-07-06 P. Ván , C. Papenfuss

Single crystal elastic constants of bcc iron and bct FeC and FeN alloys, martensites, have been evaluated by ab initio calculations based on the density functional theory. The energy of a strained crystal has been computed using the…

Materials Science · Physics 2015-08-04 Maaouia Souissi , Hiroshi Numakura

In this paper we apply the methodology based on the analysis of changes in acoustic wave velocities under static stress for measurements of the third-order elastic moduli in three polystyrene-based nanocomposites with different fillers:…

Disordered Systems and Neural Networks · Physics 2020-05-05 A. V. Belashov , Y. M. Beltukov , O. A. Moskalyuk , I. V. Semenova

We introduce models for viscoelastic materials, both solids and fluids, based on logarithmic stresses to capture the elastic contribution to the material response. The matrix logarithm allows to link the measures of strain, that naturally…

Analysis of PDEs · Mathematics 2024-10-10 Gennaro Ciampa , Giulio G. Giusteri , Alessio G. Soggiu

Elastoresistivity, the relation between resistivity and strain, can elucidate subtle properties of the electronic structure of a material and is an increasingly important tool for the study of strongly correlated materials. To date,…

Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…

Materials Science · Physics 2024-03-01 Mark A. Mathis , Chris A. Marianetti

Topology optimization (TO) has experienced a dramatic development over the last decades aided by the arising of metamaterials and additive manufacturing (AM) techniques, and it is intended to achieve the current and future challenges. In…

In the perspective of homogenization theory, strain-gradient elasticity is a strategy to describe the overall behaviour of materials with coarse mesostructure. In this approach, the effect of the mesostructure is described by the use of…

Mathematical Physics · Physics 2021-02-03 Nicolas Auffray , Houssam Andoul-Anziz , Boris Desmorat

We investigate non-linear elastic deformations in the phase field crystal model and derived amplitude equations formulations. Two sources of non-linearity are found, one of them based on geometric non-linearity expressed through a finite…

Materials Science · Physics 2016-06-15 C. Hüter , M. Friák , M. Weikamp , J. Neugebauer , N. Goldenfeld , B. Svendsen , R. Spatschek

A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…

Materials Science · Physics 2025-10-08 Ruvini Attanayake , Umesh C. Roy , Abhiyan Pandit , Angelo Bongiorno

Many materials of interest are polycrystals, i.e. aggregates of single crystals. Randomly distributed orientations of single crystals lead to macroscopically isotropic properties. Here, we briefly review strategies of calculating effective…

Materials Science · Physics 2017-10-17 Daniel N. Blaschke
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