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Related papers: Elastic Tensor of YNi_2B_2C

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New applications of liquid crystalline materials have increased the need for precise engineering of elastic properties. Recently, Sidky et al. presented methods by which the elastic coefficients of molecular models with atomistic detail can…

Soft Condensed Matter · Physics 2019-03-01 Hythem Sidky , Jonathan K. Whitmer

On the basis of the first principles simulation, the structure, formation enthalpy, and mechanical properties (elastic constant, bulk, and shear modulus and hardness) of five Nb-doped Ni systems are systematically studied. The calculated…

Materials Science · Physics 2019-05-16 Jia Song , Zhibin Gao , Liang Zhang , Wenheng Wu , Beibei He , Lin Lu

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

Elastic properties play an important role in neutron stars and white dwarfs. They are crucial for modeling stellar oscillations and different processes in magnetars and in degenerate stars which enter compact binary systems. Using…

High Energy Astrophysical Phenomena · Physics 2021-08-10 A. A. Kozhberov

We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds using the density functional theory within the local density approximation. The lattice…

Materials Science · Physics 2012-05-19 H. Koc , Amirullah M. Mamedov , E. Deligoz , H. Ozisik

The Young\'s modulus of a nylon string has been determined experimentally by combining elasticity theory and wave optics. A diffraction experiment has been setup to determine the change in the string diameter for different tensile forces…

In this work we present the study of the elastic properties of polycrystalline samples of superconducting YBa_2Cu_3O_7 prepared by the sol-gel method. The quality of all samples was checked by x-ray diffraction and scanning electronic…

Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic…

Condensed Matter · Physics 2009-10-31 Surajit Sengupta , Peter Nielaba , Madan Rao , K. Binder

Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal fluctuations, finite--temperature methods often suffer from…

Materials Science · Physics 2026-04-28 Debashish Mukherji , Marcus Müller , Martin H. Müser

The single crystal elastic constants, polycrystalline elastic moduli and related properties of orthorhombic MgSiN$_{2}$, MgGeN$_{2}$ and MgSnN$_{2}$ have been calculated using density functional theory and compared to the related wurtzite…

Materials Science · Physics 2018-08-29 Mikael Råsander , Michelle A. Moram

The elastic tensor provides valuable insight into the mechanical behavior of a material with lattice strain, such as disordered binary alloys. Traditional stress-strain methods have made it possible to compute elastic constants for ordered…

Materials Science · Physics 2025-11-06 Surya T. Bijjala , Susan R. Atlas , Pankaj Kumar

The elastic, thermodynamic, electronic, and optical properties of recently discovered and potentially technologically important transition metal boride NbRuB, have been investigated using the density functional formalism. Both generalized…

Materials Science · Physics 2017-03-21 F. Parvin , S. H. Naqib

Using first-principles density functional calculations, a systematic study on the elastic properties for all known superconducting MAX phases (Nb2SC, Nb2SnC, Nb2AsC, Nb2InC, Mo2GaC and Ti2InC) was performed. As a result, the optimized…

Superconductivity · Physics 2015-05-19 I. R. Shein , A. L. Ivanovskii

Motivated by an increasing demand for coherent data that can be used for selecting materials with properties tailored for specific application requirements, we studied elastic response of nine binary early transition metal nitrides (ScN,…

Materials Science · Physics 2012-02-13 David Holec , Martin Friák , Jörg Neugebauer , Paul H. Mayrhofer

The elastic constants of an unconventional superconductor, UTe$_2$, were investigated using ultrasound. In this paper, we report the elastic response of the normal state at temperatures down to 2 K and up to 14 T for $H \parallel b$ at…

Elastic constants and their derived properties of various cubic Heusler compounds were calculated using first-principles density functional theory. To begin with, Cu$_2$MnAl is used as a case study to explain the interpretation of the basic…

Materials Science · Physics 2020-09-03 Shu-Chun Wu , S. Shahab Naghavi , Gerhard H. Fecher , Claudia Felser

We report an ultrasonic investigation of the elastic moduli on a single crystal of hexagonal YMnO_3 as a function of temperature. Stiffening anomalies in the antiferromagnetic N\'eel state below T_N = 72.4 K are observed on all the four…

Strongly Correlated Electrons · Physics 2007-08-07 Mario Poirier , Francis Laliberte , Loreynne Pinsard , Alexandre Revcolevschi

The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…

Materials Science · Physics 2018-05-15 Aysenur Gencer , Gokhan Surucu

One of the essential questions in the area of granular matter is, how to obtain macroscopic tensorial quantities like stress and strain from ``microscopic'' quantities like the contact forces in a granular assembly. Different averaging…

Statistical Mechanics · Physics 2007-05-23 Marc Lätzel , Stefan Luding , Hans J. Herrmann

The topological Weyl semimetal MoTe2, in the orthorhombic phase, is an important system both from the point of view of fundamental physics and potential applications. In this study we have investigated the elastic, electronic, bonding and…

Materials Science · Physics 2020-03-03 B. Rahman Rano , Ishtiaque M. Syed , S. H. Naqib