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PbTaSe2 is a non-centrosymmetric topological semimetal. In this work we have explored the structural, elastic, mechanical, bonding, electronic, acoustic, thermal, and optical properties of PbTaSe2. The electronic bond structure calculations…

Materials Science · Physics 2023-03-03 A. S. M. Muhasin Reza , S. H. Naqib

A method is presented for the determination of complex-valued compression and shear elastic moduli of polymers for ultrasound applications. The resulting values, which are scarcely reported in the literature, are found with uncertainties…

Fluid Dynamics · Physics 2025-10-30 William N. Bodé , Fabian Lickert , Per Augustsson , Henrik Bruus

We present an ab-initio study of the temperature dependent elastic constants of BAs, a semiconductor that exhibits ultra-high thermal conductivity and is under investigation for thermal management in electronics. We test the consistency of…

Materials Science · Physics 2020-07-15 Cristiano Malica , Andrea Dal Corso

In this work the linear elastic properties of materials containing spherical voids are calculated and compared using finite element simulations. The focus is on homogeneous solid materials with spherical, empty voids of equal size. The…

The twist-bend nematic phase, $N_{\rm TB}$, may be viewed as a heliconical molecular arrangement in which the director $\bf n$ precesses uniformly about an extra director field, $\bf t$. It corresponds to a nematic ground state exhibiting…

In this paper we calculated the elastic constants of $\gamma Ce$. The calculations were performed self-consistently using the full potential augmented plane wave plus local orbital (FP-APW+lo) method. We used the generalized gradient…

Materials Science · Physics 2007-05-23 P. Rezaeian , S. Jalali Asadabadi , H. Amini

The mechanical behavior of two-dimensional (2D) materials across 2D phase changes is unknown, and the finite temperature ($T$) elasticity of paradigmatic SnSe monolayers -- ferroelectric 2D materials turning paraelectric as their unit cell…

Materials Science · Physics 2022-06-15 Joseph E. Roll , John M. Davis , John W. Villanova , Salvador Barraza-Lopez

Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other…

Materials Science · Physics 2013-05-29 Philipp Schoffel , Martin H. Muser

Ferrogels and magnetoelastomers are composite materials obtained by embedding magnetic particles of mesoscopic size in a crosslinked polymeric matrix. They combine the reversible elastic deformability of polymeric materials with the high…

Bulk textured MgB_2 material of nearly full density showing a weak c-axis alignment of the hexagonal MgB_2 grains parallel to the pressure direction was obtained by hot deformation of a stoichiometric MgB_2 pellet prepared by a gas-solid…

Superconductivity · Physics 2007-05-23 A. Handstein , D. Hinz , G. Fuchs , K. -H. Müller , K. Nenkov , O. Gutfleisch , V. N. Narozhnyi , L. Schultz

Using first-principles calculations within the generalized gradient approximation, we predicted the lattice parameters, elastic constants, vibrational properties, and electronic structure of cementite (Fe3C). Its nine single-crystal elastic…

Materials Science · Physics 2009-11-13 Chao Jiang , S. G. Srinivasan , A. Caro , S. A. Maloy

A first-principles calculation has been performed to study elastic, electronic, thermodynamic, transport and superconducting properties of recently reported osmium based two superconductors, XOsSi (X=Nb, Ta). We have calculated elastic…

Materials Science · Physics 2017-09-08 Enamul Haque , M. Anwar Hossain

We statistically reconstruct a three-dimensional model of a tungsten-silver composite from an experimental two-dimensional image. The effective Young's modulus ($E$) of the model is computed in the temperature range 25-1060^o C using a…

Materials Science · Physics 2009-10-31 A. P. Roberts , E. J. Garboczi

When analyzing thermodynamic and kinetic properties of crystals whose anisotropy is not large and the considered effects do not relate to the existence of singled-out directions in crystals, one may use a more simple model of an isotropic…

Statistical Mechanics · Physics 2020-04-15 Yu. M. Poluektov

The methods of density-functional perturbation theory may be used to calculate various physical response properties of insulating crystals including elastic, dielectric, Born charge, and piezoelectric tensors. These and other important…

Materials Science · Physics 2009-12-18 Xifan Wu , David Vanderbilt , D. R. Hamann

We present a tight-binding potential based on the moment expansion of the density of states, which includes up to the fifth moment. The potential is fitted to bcc and hcp Zr and it is applied to the computation of vibrational properties of…

Materials Science · Physics 2009-10-31 Marcel Porta , Teresa Castan

The problem of acquiring elastic properties of a composite material from the data of the vibrational testing is considered. The specimen is considered to abide by the linear elasticity laws and subject to viscoelastic damping. The BVP for…

Numerical Analysis · Mathematics 2024-01-22 Vitalii Aksenov , Aleksey Vasyukov , Katerina Beklemysheva

The torsional oscillator is the chief instrument for investigating supersolidity in solid 4He. These oscillators can be sensitive to the elastic properties of the solid helium, which show anomalies over the same range of temperature in…

Other Condensed Matter · Physics 2015-06-03 John D. Reppy , Xiao Mi , Alexander Justin , Erich J. Mueller

We present an experimental study performed on a vibrated granular gas enclosed into a 2D rectangular cell. Experiments are realized in microgravity. High speed video recording and optical tracking allow to obtain the full kinematics…

Soft Condensed Matter · Physics 2014-03-20 Yan Grasselli , Georges Bossis , Romain Morini

We measured the complex dynamic elastic modulus of MgB2 between 1.3 and 650 K at frequencies included between 5 and 70 kHz. The main purpose of this work is to search for possible lattice instabilities, which could contribute to enhance the…

Superconductivity · Physics 2010-07-23 F. Cordero , R. Cantelli , G. Giunchi , S. Ceresara